1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone

C14H21NO — CID 156715119

IUPAC1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone
SMILESC=C/C=C(\C=C)CN1CCC[C@H](C(C)=O)C1
InChIInChI=1S/C14H21NO/c1-4-7-13(5-2)10-15-9-6-8-14(11-15)12(3)16/h4-5,7,14H,1-2,6,8-11H2,3H3/b13-7+/t14-/m0/s1
InChIKeyLPIBBMIVHKYRSR-GUNGLEHYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds5

About 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone

1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone (PubChem CID 156715119) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone
PubChem CID156715119
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone
SMILESC=C/C=C(\C=C)CN1CCC[C@H](C(C)=O)C1
InChIInChI=1S/C14H21NO/c1-4-7-13(5-2)10-15-9-6-8-14(11-15)12(3)16/h4-5,7,14H,1-2,6,8-11H2,3H3/b13-7+/t14-/m0/s1
InChIKeyLPIBBMIVHKYRSR-GUNGLEHYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
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

2-(1-Methylpiperidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 44382755
1,3-Bis(prop-2-enyl)piperidin-4-one
CID 14916625
1-(1-Prop-2-enylpiperidin-3-yl)ethanone
CID 63845285
1-Pentyl-3-prop-2-enylpiperidin-4-one
CID 68718418
ethane;1-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]propan-2-one;prop-1-ene
CID 141962949
1-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpiperidin-3-one
CID 142286821
2-Cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone
CID 142412395
1-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-4-yl]ethanone
CID 142842574
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde
CID 142850909
1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone
CID 142874259
1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-one
CID 143378328
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one
CID 143398289

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone (CID 156715119) is 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone is C=C/C=C(\C=C)CN1CCC[C@H](C(C)=O)C1.
What is the InChIKey of 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone?
The InChIKey is LPIBBMIVHKYRSR-GUNGLEHYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-13(5-2)10-15-9-6-8-14(11-15)12(3)16/h4-5,7,14H,1-2,6,8-11H2,3H3/b13-7+/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone?
1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 156715119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).