N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide

C23H41N3O — CID 45195885

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H41N3O/c1-2-3-13-23(27)26(18-17-24-14-7-4-8-15-24)20-21-10-9-16-25(19-21)22-11-5-6-12-22/h2,21-22H,1,3-20H2
InChIKeyDRGBJAZJZKWUBX-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.92
Rot. Bonds9

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide (PubChem CID 45195885) has the molecular formula C23H41N3O and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
PubChem CID45195885
Molecular FormulaC23H41N3O
Molecular Weight375.60 g/mol
Exact Mass375.32
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H41N3O/c1-2-3-13-23(27)26(18-17-24-14-7-4-8-15-24)20-21-10-9-16-25(19-21)22-11-5-6-12-22/h2,21-22H,1,3-20H2
InChIKeyDRGBJAZJZKWUBX-UHFFFAOYSA-N
XLogP3.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide (CID 45195885) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide is C=CCCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide?
The InChIKey is DRGBJAZJZKWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O/c1-2-3-13-23(27)26(18-17-24-14-7-4-8-15-24)20-21-10-9-16-25(19-21)22-11-5-6-12-22/h2,21-22H,1,3-20H2.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide has a molecular weight of 375.60 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide is sourced from PubChem (CID 45195885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).