1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one

C14H23NO — CID 174826282

IUPAC1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one
SMILESC=C1C(CCCCC)C(=O)CCN1C1CC1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13-11(2)15(12-7-8-12)10-9-14(13)16/h12-13H,2-10H2,1H3
InChIKeyOHHXLPMDNUWDFC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds5

About 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one

1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one (PubChem CID 174826282) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one
PubChem CID174826282
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one
SMILESC=C1C(CCCCC)C(=O)CCN1C1CC1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13-11(2)15(12-7-8-12)10-9-14(13)16/h12-13H,2-10H2,1H3
InChIKeyOHHXLPMDNUWDFC-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 86310435
2-pentadecylcyclopropan-1-one
CID 70874004
4-decylcyclohexan-1-one
CID 13479948
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
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CID 123312305
3-heptyl-2-methyl-1-azabicyclo[2.2.1]heptan-7-one
CID 140524410
3-methylidene-5-pentyloxolan-2-one
CID 10583238
2-nonylcyclododecan-1-one
CID 14296722
3-hexyl-4-methylideneoxolane-2,5-dione
CID 156581153
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CID 175583922

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one?
The IUPAC name of 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one (CID 174826282) is 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one?
The canonical SMILES for 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one is C=C1C(CCCCC)C(=O)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one?
The InChIKey is OHHXLPMDNUWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-13-11(2)15(12-7-8-12)10-9-14(13)16/h12-13H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one?
1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one has a molecular weight of 221.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one is sourced from PubChem (CID 174826282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).