(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

C27H27NO — CID 6372372

IUPAC(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H27NO/c29-27(28-18-16-24(17-19-28)20-22-10-4-1-5-11-22)26(25-14-8-3-9-15-25)21-23-12-6-2-7-13-23/h1-15,21,24H,16-20H2/b26-21-
InChIKeyXHRRQZGSLIDNOW-QLYXXIJNSA-N
MW381.52 g/mol
LogP5.71
Rot. Bonds5

About (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 6372372) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID6372372
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H27NO/c29-27(28-18-16-24(17-19-28)20-22-10-4-1-5-11-22)26(25-14-8-3-9-15-25)21-23-12-6-2-7-13-23/h1-15,21,24H,16-20H2/b26-21-
InChIKeyXHRRQZGSLIDNOW-QLYXXIJNSA-N
XLogP5.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.71
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

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one (CID 6372372) is (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is O=C(/C(=C\c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is XHRRQZGSLIDNOW-QLYXXIJNSA-N. The full InChI is InChI=1S/C27H27NO/c29-27(28-18-16-24(17-19-28)20-22-10-4-1-5-11-22)26(25-14-8-3-9-15-25)21-23-12-6-2-7-13-23/h1-15,21,24H,16-20H2/b26-21-.
What are the key properties of (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one?
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 381.52 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6372372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).