1-benzyl-3-ethylpiperidin-2-one

C14H19NO — CID 13440525

IUPAC1-benzyl-3-ethylpiperidin-2-one
SMILESCCC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-2-13-9-6-10-15(14(13)16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyJOLBNMUUMHDNQK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds3

About 1-benzyl-3-ethylpiperidin-2-one

1-benzyl-3-ethylpiperidin-2-one (PubChem CID 13440525) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-3-ethylpiperidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-ethylpiperidin-2-one
PubChem CID13440525
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-3-ethylpiperidin-2-one
SMILESCCC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-2-13-9-6-10-15(14(13)16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyJOLBNMUUMHDNQK-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
CID 10707247
methoxycarbonyl 2-(1-benzyl-2-oxopiperidin-3-yl)acetate
CID 10756957
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-3-[(E)-7-chloro-6-methylhept-5-enyl]piperidin-2-one
CID 15127275
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
ethyl 1-benzyl-2-oxopiperidine-3-carboxylate;hydrochloride
CID 70449395
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
(E)-7-(1-benzyl-2-oxopiperidin-3-yl)hept-2-enoic acid
CID 122399337
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethylpiperidin-2-one?
The IUPAC name of 1-benzyl-3-ethylpiperidin-2-one (CID 13440525) is 1-benzyl-3-ethylpiperidin-2-one.
What is the SMILES notation for 1-benzyl-3-ethylpiperidin-2-one?
The canonical SMILES for 1-benzyl-3-ethylpiperidin-2-one is CCC1CCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-ethylpiperidin-2-one?
The InChIKey is JOLBNMUUMHDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13-9-6-10-15(14(13)16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of 1-benzyl-3-ethylpiperidin-2-one?
1-benzyl-3-ethylpiperidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethylpiperidin-2-one is sourced from PubChem (CID 13440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).