(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).