1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one

C26H34N2O — CID 1328826

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H34N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h2-3,6-9,12-15,22,26H,1,4-5,10-11,16-21H2
InChIKeyLGAXETHLPPPQKX-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.28
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one (PubChem CID 1328826) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
PubChem CID1328826
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H34N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h2-3,6-9,12-15,22,26H,1,4-5,10-11,16-21H2
InChIKeyLGAXETHLPPPQKX-UHFFFAOYSA-N
XLogP5.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794938
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one (CID 1328826) is 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one is O=C(CCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one?
The InChIKey is LGAXETHLPPPQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h2-3,6-9,12-15,22,26H,1,4-5,10-11,16-21H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one has a molecular weight of 390.57 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one is sourced from PubChem (CID 1328826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).