(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one

C22H25NO — CID 92522992

IUPAC(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C\c1ccccc1)C[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-21(15-14-19-10-4-1-5-11-19)18-22(20-12-6-2-7-13-20)23-16-8-3-9-17-23/h1-2,4-7,10-15,22H,3,8-9,16-18H2/b15-14-/t22-/m1/s1
InChIKeyGMHXCYBKRIQGOF-KSAKKHMLSA-N
MW319.45 g/mol
LogP4.89
Rot. Bonds6

About (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one

(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one (PubChem CID 92522992) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
PubChem CID92522992
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C\c1ccccc1)C[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-21(15-14-19-10-4-1-5-11-19)18-22(20-12-6-2-7-13-20)23-16-8-3-9-17-23/h1-2,4-7,10-15,22H,3,8-9,16-18H2/b15-14-/t22-/m1/s1
InChIKeyGMHXCYBKRIQGOF-KSAKKHMLSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.89
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

3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
(E)-3-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 46649542
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1,5-diphenyloct-1-ene-3,6-dione
CID 71384497
(E)-3-(3-nitrophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 55462346
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
(E)-4-phenyl-2-pyrrolidin-1-ylbut-3-enoic acid
CID 102378815
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 78778186

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one (CID 92522992) is (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one is O=C(/C=C\c1ccccc1)C[C@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is GMHXCYBKRIQGOF-KSAKKHMLSA-N. The full InChI is InChI=1S/C22H25NO/c24-21(15-14-19-10-4-1-5-11-19)18-22(20-12-6-2-7-13-20)23-16-8-3-9-17-23/h1-2,4-7,10-15,22H,3,8-9,16-18H2/b15-14-/t22-/m1/s1.
What are the key properties of (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one?
(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 319.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 92522992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).