1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide

C15H21N3O2 — CID 60962792

IUPAC1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(N)=O)CCC2C)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-3-5-11(7-13(9)16)15(20)18-8-12(14(17)19)6-4-10(18)2/h3,5,7,10,12H,4,6,8,16H2,1-2H3,(H2,17,19)
InChIKeyGQRGFZGSZQAACT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.30
Rot. Bonds2

About 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide

1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 60962792) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
PubChem CID60962792
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(N)=O)CCC2C)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-3-5-11(7-13(9)16)15(20)18-8-12(14(17)19)6-4-10(18)2/h3,5,7,10,12H,4,6,8,16H2,1-2H3,(H2,17,19)
InChIKeyGQRGFZGSZQAACT-UHFFFAOYSA-N
XLogP1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.30
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-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
CID 63659184
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide (CID 60962792) is 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide is Cc1ccc(C(=O)N2CC(C(N)=O)CCC2C)cc1N.
What is the InChIKey of 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is GQRGFZGSZQAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-3-5-11(7-13(9)16)15(20)18-8-12(14(17)19)6-4-10(18)2/h3,5,7,10,12H,4,6,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 60962792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).