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

C20H28N4 — CID 118292405

IUPAC2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C20H28N4/c21-9-8-20(14-22-15-20)24-10-6-16(7-11-24)13-23-19-12-18(19)17-4-2-1-3-5-17/h1-5,16,18-19,22-23H,6-8,10-15H2
InChIKeySFXSOHVWLSFZFW-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds6

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

2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118292405) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118292405
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C20H28N4/c21-9-8-20(14-22-15-20)24-10-6-16(7-11-24)13-23-19-12-18(19)17-4-2-1-3-5-17/h1-5,16,18-19,22-23H,6-8,10-15H2
InChIKeySFXSOHVWLSFZFW-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118292405) is 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1.
What is the InChIKey of 2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is SFXSOHVWLSFZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c21-9-8-20(14-22-15-20)24-10-6-16(7-11-24)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-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-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-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118292405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).