2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile

C23H31N3O — CID 147032843

IUPAC2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESCC(=O)N1CCC(CC#N)(N2CC(CCC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C23H31N3O/c1-18(27)25-13-10-23(9-12-24,11-14-25)26-16-19(17-26)7-8-21-15-22(21)20-5-3-2-4-6-20/h2-6,19,21-22H,7-11,13-17H2,1H3
InChIKeyAXXZEOHACJOTLN-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.80
Rot. Bonds6

About 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile

2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (PubChem CID 147032843) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
PubChem CID147032843
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESCC(=O)N1CCC(CC#N)(N2CC(CCC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C23H31N3O/c1-18(27)25-13-10-23(9-12-24,11-14-25)26-16-19(17-26)7-8-21-15-22(21)20-5-3-2-4-6-20/h2-6,19,21-22H,7-11,13-17H2,1H3
InChIKeyAXXZEOHACJOTLN-UHFFFAOYSA-N
XLogP3.80
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]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-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (CID 147032843) is 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is CC(=O)N1CCC(CC#N)(N2CC(CCC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The InChIKey is AXXZEOHACJOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(27)25-13-10-23(9-12-24,11-14-25)26-16-19(17-26)7-8-21-15-22(21)20-5-3-2-4-6-20/h2-6,19,21-22H,7-11,13-17H2,1H3.
What are the key properties of 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile has a molecular weight of 365.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 147032843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).