2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile

C20H28N4 — CID 118292301

IUPAC2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESN#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CCNCC1
InChIInChI=1S/C20H28N4/c21-9-6-20(7-10-22-11-8-20)24-14-16(15-24)13-23-19-12-18(19)17-4-2-1-3-5-17/h1-5,16,18-19,22-23H,6-8,10-15H2
InChIKeyIADKUDSGXJARPU-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile

2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (PubChem CID 118292301) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
PubChem CID118292301
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESN#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CCNCC1
InChIInChI=1S/C20H28N4/c21-9-6-20(7-10-22-11-8-20)24-14-16(15-24)13-23-19-12-18(19)17-4-2-1-3-5-17/h1-5,16,18-19,22-23H,6-8,10-15H2
InChIKeyIADKUDSGXJARPU-UHFFFAOYSA-N
XLogP2.10
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile 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 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (CID 118292301) is 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is N#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CCNCC1.
What is the InChIKey of 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The InChIKey is IADKUDSGXJARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c21-9-6-20(7-10-22-11-8-20)24-14-16(15-24)13-23-19-12-18(19)17-4-2-1-3-5-17/h1-5,16,18-19,22-23H,6-8,10-15H2.
What are the key properties of 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile has a molecular weight of 324.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 118292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).