1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile

C20H26N4O — CID 118290801

IUPAC1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2
InChIKeyVJFSXNAKZDCINM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile

1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile (PubChem CID 118290801) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
PubChem CID118290801
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2
InChIKeyVJFSXNAKZDCINM-UHFFFAOYSA-N
XLogP2.42
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile 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 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile (CID 118290801) is 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The InChIKey is VJFSXNAKZDCINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2.
What are the key properties of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile has a molecular weight of 338.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 118290801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).