1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile

C18H24N2O — CID 110711531

IUPAC1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
SMILESCCC(CC)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-3-15(4-2)17(21)20-12-10-18(14-19,11-13-20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyZAGBZEOVSQCLBL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile

1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 110711531) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID110711531
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
SMILESCCC(CC)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-3-15(4-2)17(21)20-12-10-18(14-19,11-13-20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyZAGBZEOVSQCLBL-UHFFFAOYSA-N
XLogP3.51
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
CID 126445072
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
(4-cyano-4-phenylpiperidin-1-yl) N,N-diethylcarbamodithioate
CID 4651024
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68847647
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile (CID 110711531) is 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile is CCC(CC)C(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is ZAGBZEOVSQCLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-15(4-2)17(21)20-12-10-18(14-19,11-13-20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile?
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 284.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 110711531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).