2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

C138H172ClFN24O21 — CID 159578564

IUPAC2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C(=O)O.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccc(F)cc1.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)CC2)c(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H31ClN4O3.C26H31FN4O3.C24H30N4O3.C22H30N4O4.C20H28N4O4.C20H22N4O4/c1-18(32)21-17-19(9-10-23(21)29-24(33)20-7-3-4-8-22(20)27)30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31;1-18(32)22-17-21(9-10-23(22)29-24(33)19-5-7-20(27)8-6-19)30-15-11-26(12-16-30,25(28)34)31-13-3-2-4-14-31;1-17-7-3-4-8-20(17)23(29)26-18-15-21(24(30)31)22(25-16-18)28-13-9-19(10-14-28)27-11-5-2-6-12-27;23-21(30)22(26-10-2-1-3-11-26)8-12-25(13-9-22)16-6-7-18(17(14-16)20(28)29)24-19(27)15-4-5-15;1-14(25)22-17-6-5-15(13-16(17)18(26)27)23-11-7-20(8-12-23,19(21)28)24-9-3-2-4-10-24;1-12-4-2-3-5-15(12)19(26)23-14-10-16(20(27)28)18(22-11-14)24-8-6-13(7-9-24)17(21)25/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H2,28,34)(H,29,33);5-10,17H,2-4,11-16H2,1H3,(H2,28,34)(H,29,33);3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,29)(H,30,31);6-7,14-15H,1-5,8-13H2,(H2,23,30)(H,24,27)(H,28,29);5-6,13H,2-4,7-12H2,1H3,(H2,21,28)(H,22,25)(H,26,27);2-5,10-11,13H,6-9H2,1H3,(H2,21,25)(H,23,26)(H,27,28)
InChIKeyMISIAUAZMXRYKW-UHFFFAOYSA-N
MW2557.49 g/mol
LogP17.23
Rot. Bonds33

About 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 159578564) has the molecular formula C138H172ClFN24O21 and a molecular weight of 2557.49 g/mol. Its IUPAC name is 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID159578564
Molecular FormulaC138H172ClFN24O21
Molecular Weight2557.49 g/mol
Exact Mass2555.28
IUPAC Name2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C(=O)O.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccc(F)cc1.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)CC2)c(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H31ClN4O3.C26H31FN4O3.C24H30N4O3.C22H30N4O4.C20H28N4O4.C20H22N4O4/c1-18(32)21-17-19(9-10-23(21)29-24(33)20-7-3-4-8-22(20)27)30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31;1-18(32)22-17-21(9-10-23(22)29-24(33)19-5-7-20(27)8-6-19)30-15-11-26(12-16-30,25(28)34)31-13-3-2-4-14-31;1-17-7-3-4-8-20(17)23(29)26-18-15-21(24(30)31)22(25-16-18)28-13-9-19(10-14-28)27-11-5-2-6-12-27;23-21(30)22(26-10-2-1-3-11-26)8-12-25(13-9-22)16-6-7-18(17(14-16)20(28)29)24-19(27)15-4-5-15;1-14(25)22-17-6-5-15(13-16(17)18(26)27)23-11-7-20(8-12-23,19(21)28)24-9-3-2-4-10-24;1-12-4-2-3-5-15(12)19(26)23-14-10-16(20(27)28)18(22-11-14)24-8-6-13(7-9-24)17(21)25/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H2,28,34)(H,29,33);5-10,17H,2-4,11-16H2,1H3,(H2,28,34)(H,29,33);3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,29)(H,30,31);6-7,14-15H,1-5,8-13H2,(H2,23,30)(H,24,27)(H,28,29);5-6,13H,2-4,7-12H2,1H3,(H2,21,28)(H,22,25)(H,26,27);2-5,10-11,13H,6-9H2,1H3,(H2,21,25)(H,23,26)(H,27,28)
InChIKeyMISIAUAZMXRYKW-UHFFFAOYSA-N
XLogP17.23
TPSA634.81 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002557.49
LogP ≤ 517.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 159578564) is 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is CC(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C(=O)O.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccc(F)cc1.CC(=O)c1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl.Cc1ccccc1C(=O)Nc1cnc(N2CCC(C(N)=O)CC2)c(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is MISIAUAZMXRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3.C26H31FN4O3.C24H30N4O3.C22H30N4O4.C20H28N4O4.C20H22N4O4/c1-18(32)21-17-19(9-10-23(21)29-24(33)20-7-3-4-8-22(20)27)30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31;1-18(32)22-17-21(9-10-23(22)29-24(33)19-5-7-20(27)8-6-19)30-15-11-26(12-16-30,25(28)34)31-13-3-2-4-14-31;1-17-7-3-4-8-20(17)23(29)26-18-15-21(24(30)31)22(25-16-18)28-13-9-19(10-14-28)27-11-5-2-6-12-27;23-21(30)22(26-10-2-1-3-11-26)8-12-25(13-9-22)16-6-7-18(17(14-16)20(28)29)24-19(27)15-4-5-15;1-14(25)22-17-6-5-15(13-16(17)18(26)27)23-11-7-20(8-12-23,19(21)28)24-9-3-2-4-10-24;1-12-4-2-3-5-15(12)19(26)23-14-10-16(20(27)28)18(22-11-14)24-8-6-13(7-9-24)17(21)25/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H2,28,34)(H,29,33);5-10,17H,2-4,11-16H2,1H3,(H2,28,34)(H,29,33);3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,29)(H,30,31);6-7,14-15H,1-5,8-13H2,(H2,23,30)(H,24,27)(H,28,29);5-6,13H,2-4,7-12H2,1H3,(H2,21,28)(H,22,25)(H,26,27);2-5,10-11,13H,6-9H2,1H3,(H2,21,25)(H,23,26)(H,27,28).
What are the key properties of 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 2557.49 g/mol, XLogP of 17.23, 33 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159578564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).