1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one

C12H19NO2 — CID 143407668

IUPAC1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one
SMILESCC(C)(C)/C=C\C(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-4-11(15)13-8-5-10(14)6-9-13/h4,7H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyDKORDAOPQYJEPG-DAXSKMNVSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds1

About 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one

1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one (PubChem CID 143407668) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one
PubChem CID143407668
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one
SMILESCC(C)(C)/C=C\C(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-4-11(15)13-8-5-10(14)6-9-13/h4,7H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyDKORDAOPQYJEPG-DAXSKMNVSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4,4-dimethyl-1-thiomorpholin-4-ylpent-2-en-1-one
CID 21060377
1-acetylpiperidin-4-one;ethane
CID 91328133
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
CID 162120137
1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-one
CID 54478992
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
CID 67783386
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
CID 142088727
1-propanoylazepan-4-one
CID 18675736
1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557
1-[(E)-but-2-enoyl]-1,4-diazepan-5-one
CID 63004581

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one?
The IUPAC name of 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one (CID 143407668) is 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one.
What is the SMILES notation for 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one?
The canonical SMILES for 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one is CC(C)(C)/C=C\C(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one?
The InChIKey is DKORDAOPQYJEPG-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)7-4-11(15)13-8-5-10(14)6-9-13/h4,7H,5-6,8-9H2,1-3H3/b7-4-.
What are the key properties of 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one?
1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one is sourced from PubChem (CID 143407668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).