(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one

C20H21NO — CID 1208524

IUPAC(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H21NO/c22-20(21-14-8-3-9-15-21)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16+
InChIKeyGMWKEQPGZYPAQQ-KNTRCKAVSA-N
MW291.39 g/mol
LogP4.24
Rot. Bonds3

About (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one

(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 1208524) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
PubChem CID1208524
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H21NO/c22-20(21-14-8-3-9-15-21)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16+
InChIKeyGMWKEQPGZYPAQQ-KNTRCKAVSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.24
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

(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
methyl 1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylate
CID 108754898
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 2938637
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6372372
(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 6294212
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 2186177
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
3-phenyl-2-piperidin-1-ylprop-2-enoic acid
CID 141448411
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one (CID 1208524) is (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is GMWKEQPGZYPAQQ-KNTRCKAVSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(21-14-8-3-9-15-21)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16+.
What are the key properties of (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one?
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 1208524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).