N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide

C17H25N3O2 — CID 119302550

IUPACN-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CCCNC2)c1C
InChIInChI=1S/C17H25N3O2/c1-3-6-16(21)19-14-8-4-9-15(12(14)2)20-17(22)13-7-5-10-18-11-13/h4,8-9,13,18H,3,5-7,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLJDVUBPHYZVQQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.67
Rot. Bonds5

About N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide

N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 119302550) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
PubChem CID119302550
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CCCNC2)c1C
InChIInChI=1S/C17H25N3O2/c1-3-6-16(21)19-14-8-4-9-15(12(14)2)20-17(22)13-7-5-10-18-11-13/h4,8-9,13,18H,3,5-7,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLJDVUBPHYZVQQ-UHFFFAOYSA-N
XLogP2.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
9-amino-N-[3-(butanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987456
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide (CID 119302550) is N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide is CCCC(=O)Nc1cccc(NC(=O)C2CCCNC2)c1C.
What is the InChIKey of N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is VLJDVUBPHYZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-6-16(21)19-14-8-4-9-15(12(14)2)20-17(22)13-7-5-10-18-11-13/h4,8-9,13,18H,3,5-7,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide?
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119302550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).