1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide

C15H21N3O2 — CID 102705184

IUPAC1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(N)=O)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)12(16)8-11(9)15(20)18-6-4-3-5-13(18)14(17)19/h7-8,13H,3-6,16H2,1-2H3,(H2,17,19)
InChIKeyQYCWSKWQZWKTKF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.37
Rot. Bonds2

About 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide

1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide (PubChem CID 102705184) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide
PubChem CID102705184
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(N)=O)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)12(16)8-11(9)15(20)18-6-4-3-5-13(18)14(17)19/h7-8,13H,3-6,16H2,1-2H3,(H2,17,19)
InChIKeyQYCWSKWQZWKTKF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

methyl 1-(5-amino-2,4-dimethylbenzoyl)pyrrolidine-2-carboxylate
CID 102705020
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
1-(5-amino-2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 54916812
(2R)-1-(2,4-dimethyl-5-nitrobenzoyl)piperidine-2-carboxylic acid
CID 122108496
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
1-(6-amino-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 103542807
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide (CID 102705184) is 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide is Cc1cc(C)c(C(=O)N2CCCCC2C(N)=O)cc1N.
What is the InChIKey of 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide?
The InChIKey is QYCWSKWQZWKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-10(2)12(16)8-11(9)15(20)18-6-4-3-5-13(18)14(17)19/h7-8,13H,3-6,16H2,1-2H3,(H2,17,19).
What are the key properties of 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide?
1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 102705184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).