2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

C19H26N4 — CID 118292439

IUPAC2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)CNC1
InChIInChI=1S/C19H26N4/c20-9-8-19(13-21-14-19)23-10-6-16(7-11-23)22-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21-22H,6-8,10-14H2/t17-,18+/m1/s1
InChIKeyXVOKNSJVLHJVLS-MSOLQXFVSA-N
MW310.44 g/mol
LogP1.85
Rot. Bonds5

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

2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118292439) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118292439
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)CNC1
InChIInChI=1S/C19H26N4/c20-9-8-19(13-21-14-19)23-10-6-16(7-11-23)22-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21-22H,6-8,10-14H2/t17-,18+/m1/s1
InChIKeyXVOKNSJVLHJVLS-MSOLQXFVSA-N
XLogP1.85
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-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-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118292439) is 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(N2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)CNC1.
What is the InChIKey of 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is XVOKNSJVLHJVLS-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26N4/c20-9-8-19(13-21-14-19)23-10-6-16(7-11-23)22-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21-22H,6-8,10-14H2/t17-,18+/m1/s1.
What are the key properties of 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 310.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118292439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).