(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one

C17H20ClNO — CID 134868213

IUPAC(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESCC(/C=C\C(=O)c1ccc(Cl)cc1)=C/N1CCCCC1
InChIInChI=1S/C17H20ClNO/c1-14(13-19-11-3-2-4-12-19)5-10-17(20)15-6-8-16(18)9-7-15/h5-10,13H,2-4,11-12H2,1H3/b10-5-,14-13-
InChIKeyOABDQFWZZDHZKY-SLHHIHMXSA-N
MW289.81 g/mol
LogP4.47
Rot. Bonds4

About (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one

(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 134868213) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID134868213
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESCC(/C=C\C(=O)c1ccc(Cl)cc1)=C/N1CCCCC1
InChIInChI=1S/C17H20ClNO/c1-14(13-19-11-3-2-4-12-19)5-10-17(20)15-6-8-16(18)9-7-15/h5-10,13H,2-4,11-12H2,1H3/b10-5-,14-13-
InChIKeyOABDQFWZZDHZKY-SLHHIHMXSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 877875
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
(E)-1-(4-chlorophenyl)-3-pyrrolidin-1-ylpent-2-en-1-one
CID 122389564
(E)-4-(4-chlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
CID 13067056
(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 92903828
(E)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1046805
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
(E)-1-(4-chlorophenyl)-4-methylpent-2-en-1-one
CID 12881546
1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 71412264
1-(4-chlorophenyl)-2-cyclohexylideneethanone
CID 103457870
1-(4-chlorophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
CID 4140745

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one (CID 134868213) is (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one is CC(/C=C\C(=O)c1ccc(Cl)cc1)=C/N1CCCCC1.
What is the InChIKey of (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is OABDQFWZZDHZKY-SLHHIHMXSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-14(13-19-11-3-2-4-12-19)5-10-17(20)15-6-8-16(18)9-7-15/h5-10,13H,2-4,11-12H2,1H3/b10-5-,14-13-.
What are the key properties of (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 289.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 134868213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).