2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile

C18H24N2O — CID 145395186

IUPAC2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile
SMILESCCCC1(CC#N)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-8-18(9-12-19)10-13-20(14-11-18)17(21)15-16-6-4-3-5-7-16/h3-7H,2,8-11,13-15H2,1H3
InChIKeySLYCVRIFXFXEBY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile

2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile (PubChem CID 145395186) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile
PubChem CID145395186
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile
SMILESCCCC1(CC#N)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-8-18(9-12-19)10-13-20(14-11-18)17(21)15-16-6-4-3-5-7-16/h3-7H,2,8-11,13-15H2,1H3
InChIKeySLYCVRIFXFXEBY-UHFFFAOYSA-N
XLogP3.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 125499832
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
2-[4-(dimethylamino)phenyl]-1-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 97148077
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
CID 158367055
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382
2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]acetic acid
CID 62825320
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile (CID 145395186) is 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile is CCCC1(CC#N)CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile?
The InChIKey is SLYCVRIFXFXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-8-18(9-12-19)10-13-20(14-11-18)17(21)15-16-6-4-3-5-7-16/h3-7H,2,8-11,13-15H2,1H3.
What are the key properties of 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile?
2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile has a molecular weight of 284.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylacetyl)-4-propylpiperidin-4-yl]acetonitrile is sourced from PubChem (CID 145395186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).