3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 119712991

IUPAC3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-5-2-3-12-23(14)20(25)15-8-10-18(11-9-15)22-19(24)16-6-4-7-17(21)13-16;/h4,6-11,13-14H,2-3,5,12,21H2,1H3,(H,22,24);1H
InChIKeyAVNUKDRWKSEUOD-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119712991) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119712991
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-5-2-3-12-23(14)20(25)15-8-10-18(11-9-15)22-19(24)16-6-4-7-17(21)13-16;/h4,6-11,13-14H,2-3,5,12,21H2,1H3,(H,22,24);1H
InChIKeyAVNUKDRWKSEUOD-UHFFFAOYSA-N
XLogP3.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.96
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

(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
ethyl 1-[4-[(3-aminobenzoyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797292
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283670
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119712991) is 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is AVNUKDRWKSEUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-5-2-3-12-23(14)20(25)15-8-10-18(11-9-15)22-19(24)16-6-4-7-17(21)13-16;/h4,6-11,13-14H,2-3,5,12,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119712991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).