1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

C22H25NO — CID 2938637

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCC1CC(C)CN(C(=O)C(=Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO/c1-17-13-18(2)16-23(15-17)22(24)21(20-11-7-4-8-12-20)14-19-9-5-3-6-10-19/h3-12,14,17-18H,13,15-16H2,1-2H3
InChIKeyJOJVYEUWFFQKCZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.73
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 2938637) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID2938637
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCC1CC(C)CN(C(=O)C(=Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO/c1-17-13-18(2)16-23(15-17)22(24)21(20-11-7-4-8-12-20)14-19-9-5-3-6-10-19/h3-12,14,17-18H,13,15-16H2,1-2H3
InChIKeyJOJVYEUWFFQKCZ-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(E)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 99643485
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 2186177
methyl 1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylate
CID 108754898
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6372372
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
(E)-3-(2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-2-phenylprop-2-en-1-one
CID 46538687
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
CID 108903218
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3958330
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448218

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (CID 2938637) is 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is CC1CC(C)CN(C(=O)C(=Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is JOJVYEUWFFQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-17-13-18(2)16-23(15-17)22(24)21(20-11-7-4-8-12-20)14-19-9-5-3-6-10-19/h3-12,14,17-18H,13,15-16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 319.45 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 2938637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).