3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one

C15H23NO2 — CID 14493369

IUPAC3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(C2=CC(=O)C(C)CC2)C1=O
InChIInChI=1S/C15H23NO2/c1-3-8-16-9-4-5-13(15(16)18)12-7-6-11(2)14(17)10-12/h10-11,13H,3-9H2,1-2H3
InChIKeyIGQICYIUQSZGGB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.56
Rot. Bonds3

About 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one

3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one (PubChem CID 14493369) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
PubChem CID14493369
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(C2=CC(=O)C(C)CC2)C1=O
InChIInChI=1S/C15H23NO2/c1-3-8-16-9-4-5-13(15(16)18)12-7-6-11(2)14(17)10-12/h10-11,13H,3-9H2,1-2H3
InChIKeyIGQICYIUQSZGGB-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
CID 13070741
3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one
CID 11288928
4-methyl-3-(methylamino)-1-propylazepan-2-one
CID 20589964
2-propyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944247
(6R)-6-methyl-3-tributylstannylcyclohex-2-en-1-one
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6-methyl-3-tributylstannylcyclohex-2-en-1-one
CID 138965334
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
CID 142372410
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
2-methyl-2,3,4,7,8,8a-hexahydronaphthalene-1,6-dione
CID 67459403

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The IUPAC name of 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one (CID 14493369) is 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one.
What is the SMILES notation for 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The canonical SMILES for 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one is CCCN1CCCC(C2=CC(=O)C(C)CC2)C1=O.
What is the InChIKey of 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The InChIKey is IGQICYIUQSZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-16-9-4-5-13(15(16)18)12-7-6-11(2)14(17)10-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one is sourced from PubChem (CID 14493369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).