(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one

C19H30FNO — CID 143900181

IUPAC(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one
SMILESC=C/C=C(F)\C(=C/CC(CC)CCC)C(=O)N1CCCCC1
InChIInChI=1S/C19H30FNO/c1-4-10-16(6-3)12-13-17(18(20)11-5-2)19(22)21-14-8-7-9-15-21/h5,11,13,16H,2,4,6-10,12,14-15H2,1,3H3/b17-13+,18-11+
InChIKeyIUWQVUBNSBAVDP-IOZDLPHISA-N
MW307.45 g/mol
LogP5.18
Rot. Bonds8

About (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one

(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one (PubChem CID 143900181) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one.

Molecular Properties

Compound Name(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one
PubChem CID143900181
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one
SMILESC=C/C=C(F)\C(=C/CC(CC)CCC)C(=O)N1CCCCC1
InChIInChI=1S/C19H30FNO/c1-4-10-16(6-3)12-13-17(18(20)11-5-2)19(22)21-14-8-7-9-15-21/h5,11,13,16H,2,4,6-10,12,14-15H2,1,3H3/b17-13+,18-11+
InChIKeyIUWQVUBNSBAVDP-IOZDLPHISA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E,6E,8E)-1-(4-fluoropiperidin-1-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 56662960
(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one
CID 12575259
(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
Cyclopenten-1-yl-[4-(fluoromethyl)piperidin-1-yl]methanone
CID 126791044
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
3-Ethyl-1-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]piperidin-2-one
CID 89546591
(E)-1-(4-fluoro-4-methylpiperidin-1-yl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-one
CID 126551404
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-[4-[5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]methanone
CID 126749050
(2Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-piperidin-1-ylhexa-2,5-dien-1-one
CID 129084636
(2E,4E)-2-butan-2-yl-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-4,5-diethyl-6-methylhepta-2,4-dien-1-one
CID 130216715
(E)-1-[4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]piperidin-1-yl]but-2-en-1-one
CID 130216716

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one?
The IUPAC name of (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one (CID 143900181) is (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one.
What is the SMILES notation for (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one?
The canonical SMILES for (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one is C=C/C=C(F)\C(=C/CC(CC)CCC)C(=O)N1CCCCC1.
What is the InChIKey of (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one?
The InChIKey is IUWQVUBNSBAVDP-IOZDLPHISA-N. The full InChI is InChI=1S/C19H30FNO/c1-4-10-16(6-3)12-13-17(18(20)11-5-2)19(22)21-14-8-7-9-15-21/h5,11,13,16H,2,4,6-10,12,14-15H2,1,3H3/b17-13+,18-11+.
What are the key properties of (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one?
(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one has a molecular weight of 307.45 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one is sourced from PubChem (CID 143900181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).