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

C19H25N3O — CID 118290246

IUPAC2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
SMILESCC(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C19H25N3O/c1-15(23)22-11-8-19(7-10-20,9-12-22)14-21-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,21H,7-9,11-14H2,1H3
InChIKeyOFSYHHRICMZOPW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.67
Rot. Bonds5

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

2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile (PubChem CID 118290246) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
PubChem CID118290246
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
SMILESCC(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C19H25N3O/c1-15(23)22-11-8-19(7-10-20,9-12-22)14-21-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,21H,7-9,11-14H2,1H3
InChIKeyOFSYHHRICMZOPW-UHFFFAOYSA-N
XLogP2.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile (CID 118290246) is 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile is CC(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The InChIKey is OFSYHHRICMZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(23)22-11-8-19(7-10-20,9-12-22)14-21-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,21H,7-9,11-14H2,1H3.
What are the key properties of 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 118290246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).