1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone

C14H23NO — CID 142813293

IUPAC1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone
SMILESC=C(/C=C\CCC)N1CCCC(C(C)=O)C1
InChIInChI=1S/C14H23NO/c1-4-5-6-8-12(2)15-10-7-9-14(11-15)13(3)16/h6,8,14H,2,4-5,7,9-11H2,1,3H3/b8-6-
InChIKeyFBVHLNCNRSAQHV-VURMDHGXSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds5

About 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone

1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone (PubChem CID 142813293) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone
PubChem CID142813293
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone
SMILESC=C(/C=C\CCC)N1CCCC(C(C)=O)C1
InChIInChI=1S/C14H23NO/c1-4-5-6-8-12(2)15-10-7-9-14(11-15)13(3)16/h6,8,14H,2,4-5,7,9-11H2,1,3H3/b8-6-
InChIKeyFBVHLNCNRSAQHV-VURMDHGXSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-4-methyl-1-(1-methylpiperidin-3-yl)pent-2-en-1-one
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1-Methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one
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CID 68450875
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CID 89196939
1-[(3-But-2-enylidene-4-methylcyclohexen-1-yl)-(6-methylundeca-2,8-dien-3-yl)amino]hexan-2-one
CID 91015745
1-(6-Ethyl-2,3-dihydropyridin-3-ylium-1-yl)-2-methylhexan-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone (CID 142813293) is 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone is C=C(/C=C\CCC)N1CCCC(C(C)=O)C1.
What is the InChIKey of 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone?
The InChIKey is FBVHLNCNRSAQHV-VURMDHGXSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-8-12(2)15-10-7-9-14(11-15)13(3)16/h6,8,14H,2,4-5,7,9-11H2,1,3H3/b8-6-.
What are the key properties of 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone?
1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone has a molecular weight of 221.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3Z)-hepta-1,3-dien-2-yl]piperidin-3-yl]ethanone is sourced from PubChem (CID 142813293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).