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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Related Compounds

3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 44522207
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzonitrile
CID 118290227
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
CID 122649219
N-[2-(cyclohexen-1-yl)-2-phenylpentyl]acetamide
CID 278462
2-Acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CID 650957
2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 847345
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641127
2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramide
CID 44288459

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).