N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide

C19H21N3O2 — CID 119422490

IUPACN-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
SMILESNc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c20-16-8-4-5-9-17(16)21-18(23)14-10-12-22(13-11-14)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13,20H2,(H,21,23)
InChIKeyJQXRQXJZDWNPKM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.76
Rot. Bonds3

About N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide

N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide (PubChem CID 119422490) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
PubChem CID119422490
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
SMILESNc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c20-16-8-4-5-9-17(16)21-18(23)14-10-12-22(13-11-14)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13,20H2,(H,21,23)
InChIKeyJQXRQXJZDWNPKM-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide (CID 119422490) is N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide is Nc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide?
The InChIKey is JQXRQXJZDWNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-16-8-4-5-9-17(16)21-18(23)14-10-12-22(13-11-14)19(24)15-6-2-1-3-7-15/h1-9,14H,10-13,20H2,(H,21,23).
What are the key properties of N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide?
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 119422490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).