N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine

C124H170FN25O11 — CID 157059320

IUPACN-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1.[H]/N=C(\C)NC(=O)c1cc2cc(F)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1
InChIInChI=1S/C26H37N5O2.C25H33N5O3.C25H35N5O2.C24H32FN5O2.C24H33N5O2/c1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18;1-16-8-9-22-18(12-16)13-21(24(26)27-17(2)32)25(29-22)30-11-10-23(19(14-30)15-31)28-20-6-4-3-5-7-20;1-15(26)27-24(31)19-13-16-12-17(25)8-9-20(16)29-23(19)30-11-10-21(22(14-30)32-2)28-18-6-4-3-5-7-18;1-16(25)26-24(30)19-14-17-8-6-7-11-20(17)28-23(19)29-13-12-21(22(15-29)31-2)27-18-9-4-3-5-10-18/h10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3;8-9,12-13,19-20,23,28,31H,3-7,10-11,14-15H2,1-2H3,(H2,26,27,32);8-9,12-13,18,21-22,28H,3-7,10-11,14H2,1-2H3,(H2,26,27,31);6-8,11,14,18,21-22,27H,3-5,9-10,12-13,15H2,1-2H3,(H2,25,26,30)/t22-,23+;;;2*21-,22+/m0..00/s1
InChIKeyABDFBEGLOJASDA-XWKXRCOBSA-N
MW2205.89 g/mol
LogP17.90
Rot. Bonds27

About N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine

N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 157059320) has the molecular formula C124H170FN25O11 and a molecular weight of 2205.89 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
PubChem CID157059320
Molecular FormulaC124H170FN25O11
Molecular Weight2205.89 g/mol
Exact Mass2204.35
IUPAC NameN-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1.[H]/N=C(\C)NC(=O)c1cc2cc(F)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1
InChIInChI=1S/C26H37N5O2.C25H33N5O3.C25H35N5O2.C24H32FN5O2.C24H33N5O2/c1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18;1-16-8-9-22-18(12-16)13-21(24(26)27-17(2)32)25(29-22)30-11-10-23(19(14-30)15-31)28-20-6-4-3-5-7-20;1-15(26)27-24(31)19-13-16-12-17(25)8-9-20(16)29-23(19)30-11-10-21(22(14-30)32-2)28-18-6-4-3-5-7-18;1-16(25)26-24(30)19-14-17-8-6-7-11-20(17)28-23(19)29-13-12-21(22(15-29)31-2)27-18-9-4-3-5-10-18/h10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3;8-9,12-13,19-20,23,28,31H,3-7,10-11,14-15H2,1-2H3,(H2,26,27,32);8-9,12-13,18,21-22,28H,3-7,10-11,14H2,1-2H3,(H2,26,27,31);6-8,11,14,18,21-22,27H,3-5,9-10,12-13,15H2,1-2H3,(H2,25,26,30)/t22-,23+;;;2*21-,22+/m0..00/s1
InChIKeyABDFBEGLOJASDA-XWKXRCOBSA-N
XLogP17.90
TPSA457.90 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002205.89
LogP ≤ 517.90
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine (CID 157059320) is N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine is CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1.[H]/N=C(\C)NC(=O)c1cc2cc(F)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1.
What is the InChIKey of N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is ABDFBEGLOJASDA-XWKXRCOBSA-N. The full InChI is InChI=1S/C26H37N5O2.C25H33N5O3.C25H35N5O2.C24H32FN5O2.C24H33N5O2/c1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18;1-16-8-9-22-18(12-16)13-21(24(26)27-17(2)32)25(29-22)30-11-10-23(19(14-30)15-31)28-20-6-4-3-5-7-20;1-15(26)27-24(31)19-13-16-12-17(25)8-9-20(16)29-23(19)30-11-10-21(22(14-30)32-2)28-18-6-4-3-5-7-18;1-16(25)26-24(30)19-14-17-8-6-7-11-20(17)28-23(19)29-13-12-21(22(15-29)31-2)27-18-9-4-3-5-10-18/h10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3;8-9,12-13,19-20,23,28,31H,3-7,10-11,14-15H2,1-2H3,(H2,26,27,32);8-9,12-13,18,21-22,28H,3-7,10-11,14H2,1-2H3,(H2,26,27,31);6-8,11,14,18,21-22,27H,3-5,9-10,12-13,15H2,1-2H3,(H2,25,26,30)/t22-,23+;;;2*21-,22+/m0..00/s1.
What are the key properties of N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine?
N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2205.89 g/mol, XLogP of 17.90, 27 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 157059320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).