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

C21H31N3O3 — CID 20973005

IUPACN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)16-10-13-24(14-11-16)21(27)17-6-8-18(9-7-17)23-19(25)15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKXEUZZCHVFNIAU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.05
Rot. Bonds7

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

N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 20973005) 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-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
PubChem CID20973005
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)16-10-13-24(14-11-16)21(27)17-6-8-18(9-7-17)23-19(25)15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKXEUZZCHVFNIAU-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'}

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Related Compounds

N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 86984105
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide (CID 20973005) is N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)CC1.
What is the InChIKey of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is KXEUZZCHVFNIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-5-12-22-20(26)16-10-13-24(14-11-16)21(27)17-6-8-18(9-7-17)23-19(25)15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 20973005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).