1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide

C14H18ClN3O2 — CID 103194097

IUPAC1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C14H18ClN3O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)10-5-2-6-11(15)12(10)16/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,19)
InChIKeyZKLOEFLIQJTHMH-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194097) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194097
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C14H18ClN3O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)10-5-2-6-11(15)12(10)16/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,19)
InChIKeyZKLOEFLIQJTHMH-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.52
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

1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide (CID 103194097) is 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is ZKLOEFLIQJTHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)10-5-2-6-11(15)12(10)16/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).