1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile

C15H18N2O — CID 83851093

IUPAC1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile
SMILESCCC1C(=O)C(C#N)CCN1Cc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-14-15(18)13(10-16)8-9-17(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-9,11H2,1H3
InChIKeyKYVPNXJBNPZCPX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.38
Rot. Bonds3

About 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile

1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile (PubChem CID 83851093) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile
PubChem CID83851093
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile
SMILESCCC1C(=O)C(C#N)CCN1Cc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-14-15(18)13(10-16)8-9-17(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-9,11H2,1H3
InChIKeyKYVPNXJBNPZCPX-UHFFFAOYSA-N
XLogP2.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_keto_A(2)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzyl-N-methylazetidin-2-amine
CID 57429452
3-benzyl-3-azabicyclo[4.1.0]heptane-2-carbonitrile
CID 84679202
2-amino-1-benzylpiperidine-4-carbonitrile
CID 141163059
6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176924747
(1S,5R)-2-benzyl-9-ethyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134834962
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
CID 178171793
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
2-(1-benzyl-2-propan-2-ylpyrrolidin-3-yl)acetonitrile
CID 83851118
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
2-benzyl-3-oxopiperidine-4-carbonitrile
CID 156632380

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile?
The IUPAC name of 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile (CID 83851093) is 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile.
What is the SMILES notation for 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile?
The canonical SMILES for 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile is CCC1C(=O)C(C#N)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile?
The InChIKey is KYVPNXJBNPZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-14-15(18)13(10-16)8-9-17(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-9,11H2,1H3.
What are the key properties of 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile?
1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile is sourced from PubChem (CID 83851093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).