1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid

C20H19ClN2O4 — CID 119250693

IUPAC1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c21-16-3-1-2-15(12-16)18(24)22-17-6-4-13(5-7-17)19(25)23-10-8-14(9-11-23)20(26)27/h1-7,12,14H,8-11H2,(H,22,24)(H,26,27)
InChIKeyKPNGEAAUBDEOSC-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250693) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250693
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c21-16-3-1-2-15(12-16)18(24)22-17-6-4-13(5-7-17)19(25)23-10-8-14(9-11-23)20(26)27/h1-7,12,14H,8-11H2,(H,22,24)(H,26,27)
InChIKeyKPNGEAAUBDEOSC-UHFFFAOYSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 119373556
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119250693) is 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is KPNGEAAUBDEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-16-3-1-2-15(12-16)18(24)22-17-6-4-13(5-7-17)19(25)23-10-8-14(9-11-23)20(26)27/h1-7,12,14H,8-11H2,(H,22,24)(H,26,27).
What are the key properties of 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 386.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).