2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid

C146H181Cl2FN28O24 — CID 160781877

IUPAC2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid
SMILESCCCCC(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.Cc1ccc(C(=O)Nc2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)O)c2)cc1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1
InChIInChI=1S/C25H29ClN4O4.C25H29FN4O4.2C25H31N5O4.C24H28ClN5O4.C22H33N5O4/c26-18-6-4-5-17(15-18)22(31)28-19-7-8-21(20(16-19)23(32)33)29-13-9-25(10-14-29,24(27)34)30-11-2-1-3-12-30;26-20-7-3-2-6-18(20)22(31)28-17-8-9-21(19(16-17)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-4-1-5-13-30;1-17-7-3-4-8-19(17)22(31)28-18-15-20(23(32)33)21(27-16-18)29-13-9-25(10-14-29,24(26)34)30-11-5-2-6-12-30;1-17-5-7-18(8-6-17)22(31)28-19-15-20(23(32)33)21(27-16-19)29-13-9-25(10-14-29,24(26)34)30-11-3-2-4-12-30;25-17-6-4-5-16(13-17)21(31)28-18-14-19(22(32)33)20(27-15-18)29-11-7-24(8-12-29,23(26)34)30-9-2-1-3-10-30;1-2-3-7-18(28)25-16-14-17(20(29)30)19(24-15-16)26-12-8-22(9-13-26,21(23)31)27-10-5-4-6-11-27/h4-8,15-16H,1-3,9-14H2,(H2,27,34)(H,28,31)(H,32,33);2-3,6-9,16H,1,4-5,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);5-8,15-16H,2-4,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);4-6,13-15H,1-3,7-12H2,(H2,26,34)(H,28,31)(H,32,33);14-15H,2-13H2,1H3,(H2,23,31)(H,25,28)(H,29,30)
InChIKeySARMURFGNNOXOZ-UHFFFAOYSA-N
MW2802.13 g/mol
LogP17.20
Rot. Bonds38

About 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid

2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid (PubChem CID 160781877) has the molecular formula C146H181Cl2FN28O24 and a molecular weight of 2802.13 g/mol. Its IUPAC name is 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid
PubChem CID160781877
Molecular FormulaC146H181Cl2FN28O24
Molecular Weight2802.13 g/mol
Exact Mass2799.32
IUPAC Name2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid
SMILESCCCCC(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.Cc1ccc(C(=O)Nc2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)O)c2)cc1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1
InChIInChI=1S/C25H29ClN4O4.C25H29FN4O4.2C25H31N5O4.C24H28ClN5O4.C22H33N5O4/c26-18-6-4-5-17(15-18)22(31)28-19-7-8-21(20(16-19)23(32)33)29-13-9-25(10-14-29,24(27)34)30-11-2-1-3-12-30;26-20-7-3-2-6-18(20)22(31)28-17-8-9-21(19(16-17)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-4-1-5-13-30;1-17-7-3-4-8-19(17)22(31)28-18-15-20(23(32)33)21(27-16-18)29-13-9-25(10-14-29,24(26)34)30-11-5-2-6-12-30;1-17-5-7-18(8-6-17)22(31)28-19-15-20(23(32)33)21(27-16-19)29-13-9-25(10-14-29,24(26)34)30-11-3-2-4-12-30;25-17-6-4-5-16(13-17)21(31)28-18-14-19(22(32)33)20(27-15-18)29-11-7-24(8-12-29,23(26)34)30-9-2-1-3-10-30;1-2-3-7-18(28)25-16-14-17(20(29)30)19(24-15-16)26-12-8-22(9-13-26,21(23)31)27-10-5-4-6-11-27/h4-8,15-16H,1-3,9-14H2,(H2,27,34)(H,28,31)(H,32,33);2-3,6-9,16H,1,4-5,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);5-8,15-16H,2-4,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);4-6,13-15H,1-3,7-12H2,(H2,26,34)(H,28,31)(H,32,33);14-15H,2-13H2,1H3,(H2,23,31)(H,25,28)(H,29,30)
InChIKeySARMURFGNNOXOZ-UHFFFAOYSA-N
XLogP17.20
TPSA747.38 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002802.13
LogP ≤ 517.20
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 87544004
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 87545017
5-[[4-[1-[4-Carbamoyl-1-[3-carboxy-4-[[(4-chlorophenyl)-hydroxymethyl]amino]phenyl]piperidin-4-yl]piperidin-3-yl]-2-fluorobenzoyl]amino]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 138518528
5-[[4-[1-[4-Carbamoyl-1-[3-carboxy-4-[(4-chlorobenzoyl)amino]phenyl]piperidin-4-yl]piperidin-3-yl]-2-fluorobenzoyl]amino]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 142552062
5-[[4-[1-[4-Carbamoyl-1-[2-carboxy-4-[(4-methylbenzoyl)amino]phenyl]piperidin-4-yl]piperidin-3-yl]-2-fluorobenzoyl]amino]-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 155075258
1-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
CID 67091900
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-(4-phenylpiperazin-1-yl)methanone
CID 68707754
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-(4-phenylpiperidin-1-yl)methanone
CID 68708705
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 68710193
[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-phenylmethanone;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
CID 87265046
(4-benzylpiperidin-1-yl)-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]methanone;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
CID 87265052
2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
CID 87265055

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid (CID 160781877) is 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid is CCCCC(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.Cc1ccc(C(=O)Nc2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)O)c2)cc1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)O)CC1.NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1.
What is the InChIKey of 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid?
The InChIKey is SARMURFGNNOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4.C25H29FN4O4.2C25H31N5O4.C24H28ClN5O4.C22H33N5O4/c26-18-6-4-5-17(15-18)22(31)28-19-7-8-21(20(16-19)23(32)33)29-13-9-25(10-14-29,24(27)34)30-11-2-1-3-12-30;26-20-7-3-2-6-18(20)22(31)28-17-8-9-21(19(16-17)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-4-1-5-13-30;1-17-7-3-4-8-19(17)22(31)28-18-15-20(23(32)33)21(27-16-18)29-13-9-25(10-14-29,24(26)34)30-11-5-2-6-12-30;1-17-5-7-18(8-6-17)22(31)28-19-15-20(23(32)33)21(27-16-19)29-13-9-25(10-14-29,24(26)34)30-11-3-2-4-12-30;25-17-6-4-5-16(13-17)21(31)28-18-14-19(22(32)33)20(27-15-18)29-11-7-24(8-12-29,23(26)34)30-9-2-1-3-10-30;1-2-3-7-18(28)25-16-14-17(20(29)30)19(24-15-16)26-12-8-22(9-13-26,21(23)31)27-10-5-4-6-11-27/h4-8,15-16H,1-3,9-14H2,(H2,27,34)(H,28,31)(H,32,33);2-3,6-9,16H,1,4-5,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);5-8,15-16H,2-4,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33);4-6,13-15H,1-3,7-12H2,(H2,26,34)(H,28,31)(H,32,33);14-15H,2-13H2,1H3,(H2,23,31)(H,25,28)(H,29,30).
What are the key properties of 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid?
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid has a molecular weight of 2802.13 g/mol, XLogP of 17.20, 38 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(pentanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 160781877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).