N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid

C166H216N22O17 — CID 159281118

IUPACN-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(N)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CN)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4C(=O)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C34H44N4O4.C33H43N5O3.C33H45N5O2.2C33H42N4O4/c1-22(2)35-33(41)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(15-17-37)19-32(39)40)6-9-28(30)20-31(38)36-34(42)26-7-4-23(3)5-8-26;1-21(2)35-32(40)26-10-12-28(13-11-26)38-29-18-23(20-37-16-14-24(15-17-37)31(34)39)6-9-27(29)19-30(38)36-33(41)25-7-4-22(3)5-8-25;1-22(2)35-32(39)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(20-34)15-17-37)6-9-28(30)19-31(38)36-33(40)26-7-4-23(3)5-8-26;1-21(2)34-31(38)25-10-12-28(13-11-25)37-29-18-23(20-36-16-14-26(15-17-36)33(40)41)6-9-27(29)19-30(37)35-32(39)24-7-4-22(3)5-8-24;1-21(2)34-31(38)25-13-15-27(16-14-25)37-29-18-23(20-36-17-5-4-6-28(36)33(40)41)9-12-26(29)19-30(37)35-32(39)24-10-7-22(3)8-11-24/h4-9,18,22,24,27,29H,10-17,19-21H2,1-3H3,(H,35,41)(H,39,40);4-9,18,21,24,26,28H,10-17,19-20H2,1-3H3,(H2,34,39)(H,35,40);4-9,18,22,24,27,29H,10-17,19-21,34H2,1-3H3,(H,35,39);4-9,18,21,25-26,28H,10-17,19-20H2,1-3H3,(H,34,38)(H,40,41);7-12,18,21,25,27-28H,4-6,13-17,19-20H2,1-3H3,(H,34,38)(H,40,41)/b36-31+;36-30+;36-31+;2*35-30+
InChIKeyKYXVQBNJBONTIH-PSWBKYGMSA-N
MW2791.69 g/mol
LogP24.69
Rot. Bonds36

About N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid

N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid (PubChem CID 159281118) has the molecular formula C166H216N22O17 and a molecular weight of 2791.69 g/mol. Its IUPAC name is N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound NameN-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
PubChem CID159281118
Molecular FormulaC166H216N22O17
Molecular Weight2791.69 g/mol
Exact Mass2789.67
IUPAC NameN-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(N)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CN)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4C(=O)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C34H44N4O4.C33H43N5O3.C33H45N5O2.2C33H42N4O4/c1-22(2)35-33(41)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(15-17-37)19-32(39)40)6-9-28(30)20-31(38)36-34(42)26-7-4-23(3)5-8-26;1-21(2)35-32(40)26-10-12-28(13-11-26)38-29-18-23(20-37-16-14-24(15-17-37)31(34)39)6-9-27(29)19-30(38)36-33(41)25-7-4-22(3)5-8-25;1-22(2)35-32(39)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(20-34)15-17-37)6-9-28(30)19-31(38)36-33(40)26-7-4-23(3)5-8-26;1-21(2)34-31(38)25-10-12-28(13-11-25)37-29-18-23(20-36-16-14-26(15-17-36)33(40)41)6-9-27(29)19-30(37)35-32(39)24-7-4-22(3)5-8-24;1-21(2)34-31(38)25-13-15-27(16-14-25)37-29-18-23(20-36-17-5-4-6-28(36)33(40)41)9-12-26(29)19-30(37)35-32(39)24-10-7-22(3)8-11-24/h4-9,18,22,24,27,29H,10-17,19-21H2,1-3H3,(H,35,41)(H,39,40);4-9,18,21,24,26,28H,10-17,19-20H2,1-3H3,(H2,34,39)(H,35,40);4-9,18,22,24,27,29H,10-17,19-21,34H2,1-3H3,(H,35,39);4-9,18,21,25-26,28H,10-17,19-20H2,1-3H3,(H,34,38)(H,40,41);7-12,18,21,25,27-28H,4-6,13-17,19-20H2,1-3H3,(H,34,38)(H,40,41)/b36-31+;36-30+;36-31+;2*35-30+
InChIKeyKYXVQBNJBONTIH-PSWBKYGMSA-N
XLogP24.69
TPSA506.06 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.69
LogP ≤ 524.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 159174536
4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;sulfur dioxide
CID 159774959
3-chloro-4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 160754909
4-fluoro-N-[1-[4-(2-methylpropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]benzamide
CID 159095968
3-cyano-5-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 148616023
4-fluoro-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 159365779
bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 158687749
4-(methylamino)-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 147187547
ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide
CID 158019437
4-fluoro-N-[6-(2-methoxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 159891757
3-fluoro-5-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]pyridine-3-carboxamide
CID 158109438
methyl 4-[2-(4-fluorobenzoyl)imino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate
CID 147232856

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid (CID 159281118) is N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid is Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(N)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(CN)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCCCC4C(=O)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is KYXVQBNJBONTIH-PSWBKYGMSA-N. The full InChI is InChI=1S/C34H44N4O4.C33H43N5O3.C33H45N5O2.2C33H42N4O4/c1-22(2)35-33(41)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(15-17-37)19-32(39)40)6-9-28(30)20-31(38)36-34(42)26-7-4-23(3)5-8-26;1-21(2)35-32(40)26-10-12-28(13-11-26)38-29-18-23(20-37-16-14-24(15-17-37)31(34)39)6-9-27(29)19-30(38)36-33(41)25-7-4-22(3)5-8-25;1-22(2)35-32(39)27-10-12-29(13-11-27)38-30-18-25(21-37-16-14-24(20-34)15-17-37)6-9-28(30)19-31(38)36-33(40)26-7-4-23(3)5-8-26;1-21(2)34-31(38)25-10-12-28(13-11-25)37-29-18-23(20-36-16-14-26(15-17-36)33(40)41)6-9-27(29)19-30(37)35-32(39)24-7-4-22(3)5-8-24;1-21(2)34-31(38)25-13-15-27(16-14-25)37-29-18-23(20-36-17-5-4-6-28(36)33(40)41)9-12-26(29)19-30(37)35-32(39)24-10-7-22(3)8-11-24/h4-9,18,22,24,27,29H,10-17,19-21H2,1-3H3,(H,35,41)(H,39,40);4-9,18,21,24,26,28H,10-17,19-20H2,1-3H3,(H2,34,39)(H,35,40);4-9,18,22,24,27,29H,10-17,19-21,34H2,1-3H3,(H,35,39);4-9,18,21,25-26,28H,10-17,19-20H2,1-3H3,(H,34,38)(H,40,41);7-12,18,21,25,27-28H,4-6,13-17,19-20H2,1-3H3,(H,34,38)(H,40,41)/b36-31+;36-30+;36-31+;2*35-30+.
What are the key properties of N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid?
N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 2791.69 g/mol, XLogP of 24.69, 36 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 159281118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).