1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

C19H18ClN3O4 — CID 120528053

IUPAC1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H18ClN3O4/c20-14-3-6-16(21-11-14)17(24)22-15-4-1-12(2-5-15)18(25)23-9-7-13(8-10-23)19(26)27/h1-6,11,13H,7-10H2,(H,22,24)(H,26,27)
InChIKeyOLOKNXHBNISZFK-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528053) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID120528053
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H18ClN3O4/c20-14-3-6-16(21-11-14)17(24)22-15-4-1-12(2-5-15)18(25)23-9-7-13(8-10-23)19(26)27/h1-6,11,13H,7-10H2,(H,22,24)(H,26,27)
InChIKeyOLOKNXHBNISZFK-UHFFFAOYSA-N
XLogP2.92
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
1-[4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250668
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 120528053) is 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is OLOKNXHBNISZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-14-3-6-16(21-11-14)17(24)22-15-4-1-12(2-5-15)18(25)23-9-7-13(8-10-23)19(26)27/h1-6,11,13H,7-10H2,(H,22,24)(H,26,27).
What are the key properties of 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 387.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).