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

C22H31N3O3 — CID 20972945

IUPACN-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-15(2)20(26)23-19-9-7-17(8-10-19)22(28)25-13-11-16(12-14-25)21(27)24-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBCCJTOZMFNOGDX-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.19
Rot. Bonds5

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

N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 20972945) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
PubChem CID20972945
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-15(2)20(26)23-19-9-7-17(8-10-19)22(28)25-13-11-16(12-14-25)21(27)24-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBCCJTOZMFNOGDX-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-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-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
tert-butyl N-[4-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 46443258
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
CID 134800129

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide (CID 20972945) is N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide is CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is BCCJTOZMFNOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(2)20(26)23-19-9-7-17(8-10-19)22(28)25-13-11-16(12-14-25)21(27)24-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).