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

C20H21NO — CID 6377486

IUPAC(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C(/c1ccccc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16-
InChIKeyWXQOXQQWEANKJI-MNDPQUGUSA-N
MW291.39 g/mol
LogP4.40
Rot. Bonds4

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

(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one (PubChem CID 6377486) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
PubChem CID6377486
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C(/c1ccccc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16-
InChIKeyWXQOXQQWEANKJI-MNDPQUGUSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
(E)-2-phenyl-2-piperidin-1-ylethenediazonium
CID 134983730
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
CID 4963082
1-[(Z)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 135078220
1-[(E)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 101409440
tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
CID 177445819
(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 110297176
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one (CID 6377486) is (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one is O=C(/C=C(/c1ccccc1)N1CCCCC1)c1ccccc1.
What is the InChIKey of (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one?
The InChIKey is WXQOXQQWEANKJI-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16-.
What are the key properties of (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one?
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 6377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).