(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one

C17H21NO — CID 24842724

IUPAC(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCC1CCCN(C(=O)/C=C\C=C\c2ccccc2)C1
InChIInChI=1S/C17H21NO/c1-15-8-7-13-18(14-15)17(19)12-6-5-11-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/b11-5+,12-6-
InChIKeyRALWLZJBPJEGDC-MCSXFCTQSA-N
MW255.36 g/mol
LogP3.51
Rot. Bonds3

About (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one

(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 24842724) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
PubChem CID24842724
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCC1CCCN(C(=O)/C=C\C=C\c2ccccc2)C1
InChIInChI=1S/C17H21NO/c1-15-8-7-13-18(14-15)17(19)12-6-5-11-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/b11-5+,12-6-
InChIKeyRALWLZJBPJEGDC-MCSXFCTQSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.51
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 (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-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

Related Compounds

5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 61295900
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510
3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 102603213
(E)-3-phenyl-1-(3-phenylazepan-1-yl)prop-2-en-1-one
CID 90608464
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
(E)-3-phenyl-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]prop-2-en-1-one
CID 125018008
(Z)-4-[(3R)-3-methylpiperidin-1-yl]-4-oxobut-2-enoate
CID 2512801
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 5371862

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one (CID 24842724) is (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one is CC1CCCN(C(=O)/C=C\C=C\c2ccccc2)C1.
What is the InChIKey of (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is RALWLZJBPJEGDC-MCSXFCTQSA-N. The full InChI is InChI=1S/C17H21NO/c1-15-8-7-13-18(14-15)17(19)12-6-5-11-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3/b11-5+,12-6-.
What are the key properties of (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one?
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 24842724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).