5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C72H84ClN11O10 — CID 157202937

IUPAC5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESC.Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2C)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCCC(C)C2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H28N4O3.C25H29ClN4O4.C20H23N3O3.CH4/c1-17-7-6-9-21(13-17)30-12-11-29(16-19(30)3)24-23(26(32)33)14-20(15-27-24)28-25(31)22-10-5-4-8-18(22)2;26-18-6-4-17(5-7-18)22(31)28-21-9-8-19(16-20(21)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-2-1-3-13-30;1-13-6-5-9-23(12-13)18-17(20(25)26)10-15(11-21-18)22-19(24)16-8-4-3-7-14(16)2;/h4-10,13-15,19H,11-12,16H2,1-3H3,(H,28,31)(H,32,33);4-9,16H,1-3,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,24)(H,25,26);1H4
InChIKeyAQZZQVZVSHZTKB-UHFFFAOYSA-N
MW1298.98 g/mol
LogP12.18
Rot. Bonds15

About 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 157202937) has the molecular formula C72H84ClN11O10 and a molecular weight of 1298.98 g/mol. Its IUPAC name is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID157202937
Molecular FormulaC72H84ClN11O10
Molecular Weight1298.98 g/mol
Exact Mass1297.61
IUPAC Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESC.Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2C)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCCC(C)C2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H28N4O3.C25H29ClN4O4.C20H23N3O3.CH4/c1-17-7-6-9-21(13-17)30-12-11-29(16-19(30)3)24-23(26(32)33)14-20(15-27-24)28-25(31)22-10-5-4-8-18(22)2;26-18-6-4-17(5-7-18)22(31)28-21-9-8-19(16-20(21)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-2-1-3-13-30;1-13-6-5-9-23(12-13)18-17(20(25)26)10-15(11-21-18)22-19(24)16-8-4-3-7-14(16)2;/h4-10,13-15,19H,11-12,16H2,1-3H3,(H,28,31)(H,32,33);4-9,16H,1-3,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,24)(H,25,26);1H4
InChIKeyAQZZQVZVSHZTKB-UHFFFAOYSA-N
XLogP12.18
TPSA284.27 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001298.98
LogP ≤ 512.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)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

5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 16033194
2-(4-Carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 83289270
2-(4-Carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 86769139
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
5-[(4-Chlorobenzoyl)amino]-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 53009333
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 157202937) is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is C.Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2C)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCCC(C)C2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is AQZZQVZVSHZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3.C25H29ClN4O4.C20H23N3O3.CH4/c1-17-7-6-9-21(13-17)30-12-11-29(16-19(30)3)24-23(26(32)33)14-20(15-27-24)28-25(31)22-10-5-4-8-18(22)2;26-18-6-4-17(5-7-18)22(31)28-21-9-8-19(16-20(21)23(32)33)29-14-10-25(11-15-29,24(27)34)30-12-2-1-3-13-30;1-13-6-5-9-23(12-13)18-17(20(25)26)10-15(11-21-18)22-19(24)16-8-4-3-7-14(16)2;/h4-10,13-15,19H,11-12,16H2,1-3H3,(H,28,31)(H,32,33);4-9,16H,1-3,10-15H2,(H2,27,34)(H,28,31)(H,32,33);3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,24)(H,25,26);1H4.
What are the key properties of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 1298.98 g/mol, XLogP of 12.18, 15 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 157202937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).