3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C19H21N3O2 — CID 6939897

IUPAC3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H21N3O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,20H2,(H,21,23)
InChIKeyRMESQTOWPLKDOT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.15
Rot. Bonds3

About 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 6939897) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID6939897
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H21N3O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,20H2,(H,21,23)
InChIKeyRMESQTOWPLKDOT-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
ethyl 1-[4-[(3-aminobenzoyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797292
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 6939897) is 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is RMESQTOWPLKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,20H2,(H,21,23).
What are the key properties of 3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.15, 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-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 6939897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).