N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide

C14H25N3O — CID 146107005

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1N1CCCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18)
InChIKeyCFZOKGCEKLNUPL-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.85
Rot. Bonds3

About N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide

N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide (PubChem CID 146107005) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
PubChem CID146107005
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1N1CCCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18)
InChIKeyCFZOKGCEKLNUPL-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-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-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide (CID 146107005) is N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1N1CCCN(C)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The InChIKey is CFZOKGCEKLNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18).
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 146107005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).