N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

C21H31N3O3 — CID 46384493

IUPACN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1
InChIInChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)17-7-6-13-24(14-17)21(27)16-8-10-18(11-9-16)23-19(25)15(2)3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyGDTVKKWTPQDJOC-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.05
Rot. Bonds7

About N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 46384493) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID46384493
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1
InChIInChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)17-7-6-13-24(14-17)21(27)16-8-10-18(11-9-16)23-19(25)15(2)3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyGDTVKKWTPQDJOC-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 50827281

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 46384493) is N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1.
What is the InChIKey of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is GDTVKKWTPQDJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)17-7-6-13-24(14-17)21(27)16-8-10-18(11-9-16)23-19(25)15(2)3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 46384493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).