3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide

C21H33N3O — CID 119857600

IUPAC3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
SMILESCCCN(C(=O)C1CCC(N)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O/c1-2-12-24(21(25)18-10-11-19(22)14-18)20-9-6-13-23(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16,22H2,1H3
InChIKeyIITACSNDQMBPRD-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.02
Rot. Bonds6

About 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide

3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide (PubChem CID 119857600) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
PubChem CID119857600
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
SMILESCCCN(C(=O)C1CCC(N)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O/c1-2-12-24(21(25)18-10-11-19(22)14-18)20-9-6-13-23(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16,22H2,1H3
InChIKeyIITACSNDQMBPRD-UHFFFAOYSA-N
XLogP3.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-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

3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 119900588
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide (CID 119857600) is 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide is CCCN(C(=O)C1CCC(N)C1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide?
The InChIKey is IITACSNDQMBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-2-12-24(21(25)18-10-11-19(22)14-18)20-9-6-13-23(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16,22H2,1H3.
What are the key properties of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide?
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide is sourced from PubChem (CID 119857600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).