1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride

C15H22ClN3O2 — CID 120622455

IUPAC1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-6-7-11(16)9-12(10)15(20)18-8-4-3-5-13(18)14(19)17-2;/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19);1H
InChIKeyGYULHRWRDKHPKV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.74
Rot. Bonds2

About 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride

1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 120622455) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID120622455
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-6-7-11(16)9-12(10)15(20)18-8-4-3-5-13(18)14(19)17-2;/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19);1H
InChIKeyGYULHRWRDKHPKV-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.74
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-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107026050
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride (CID 120622455) is 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride is CNC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is GYULHRWRDKHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10-6-7-11(16)9-12(10)15(20)18-8-4-3-5-13(18)14(19)17-2;/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120622455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).