5-(1-methylpiperidin-4-yl)pent-3-en-2-one

C11H19NO — CID 59970826

IUPAC5-(1-methylpiperidin-4-yl)pent-3-en-2-one
SMILESCC(=O)C=CCC1CCN(C)CC1
InChIInChI=1S/C11H19NO/c1-10(13)4-3-5-11-6-8-12(2)9-7-11/h3-4,11H,5-9H2,1-2H3
InChIKeyNTJHCUQZETVYRV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 5-(1-methylpiperidin-4-yl)pent-3-en-2-one

5-(1-methylpiperidin-4-yl)pent-3-en-2-one (PubChem CID 59970826) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)pent-3-en-2-one.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)pent-3-en-2-one
PubChem CID59970826
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(1-methylpiperidin-4-yl)pent-3-en-2-one
SMILESCC(=O)C=CCC1CCN(C)CC1
InChIInChI=1S/C11H19NO/c1-10(13)4-3-5-11-6-8-12(2)9-7-11/h3-4,11H,5-9H2,1-2H3
InChIKeyNTJHCUQZETVYRV-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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

1-(1-Methylpiperidin-4-ylidene)propan-2-one
CID 15601059
(E)-6-(3,3-difluoropiperidin-1-yl)-2-methylhex-4-en-3-one
CID 90209211
5-Fluoro-1-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-one
CID 90745322
(E)-1-(4-fluoro-4-methylpiperidin-1-yl)-6,6-dimethylhept-2-en-4-one
CID 134579125
(e)-4-Methyl-5-(piperidin-1-yl)pent-3-en-2-one
CID 14765527
6-(Piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 101419248
(z)-4-Methyl-5-(piperidin-1-yl)pent-3-en-2-one
CID 129765648
Piperidinohexenone
CID 129803286
4-Methyl-5-piperidino-3-penten-2-one
CID 129809181
5-Methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one
CID 3024590
5-Methyl-1-(1-piperidinyl)-4-hexen-3-one hydrochloride
CID 2330721
(E)-5-piperidin-1-ylpent-3-en-2-one
CID 14765512

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)pent-3-en-2-one?
The IUPAC name of 5-(1-methylpiperidin-4-yl)pent-3-en-2-one (CID 59970826) is 5-(1-methylpiperidin-4-yl)pent-3-en-2-one.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)pent-3-en-2-one?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)pent-3-en-2-one is CC(=O)C=CCC1CCN(C)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)pent-3-en-2-one?
The InChIKey is NTJHCUQZETVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(13)4-3-5-11-6-8-12(2)9-7-11/h3-4,11H,5-9H2,1-2H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)pent-3-en-2-one?
5-(1-methylpiperidin-4-yl)pent-3-en-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)pent-3-en-2-one is sourced from PubChem (CID 59970826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).