1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile

C17H22N2O2 — CID 126445072

IUPAC1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
SMILESCCO[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-21-14(2)16(20)19-11-9-17(13-18,10-12-19)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeySNKKWLJTHCIUQJ-CQSZACIVSA-N
MW286.38 g/mol
LogP2.50
Rot. Bonds4

About 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile

1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 126445072) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID126445072
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
SMILESCCO[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-21-14(2)16(20)19-11-9-17(13-18,10-12-19)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeySNKKWLJTHCIUQJ-CQSZACIVSA-N
XLogP2.50
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
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-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68847647
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
ethyl N-[(3R)-1-(4-cyano-4-phenylcyclohexyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 134431831
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]-2-ethoxybutan-1-one
CID 138011320

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile (CID 126445072) is 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile is CCO[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is SNKKWLJTHCIUQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-21-14(2)16(20)19-11-9-17(13-18,10-12-19)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile?
1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 126445072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).