1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone

C25H30N2O2 — CID 108533858

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C1CCCCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c28-24(22-14-8-3-9-15-22)26-16-18-27(19-17-26)25(29)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2
InChIKeyYALCOAYGXPMRER-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 108533858) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID108533858
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C1CCCCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c28-24(22-14-8-3-9-15-22)26-16-18-27(19-17-26)25(29)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2
InChIKeyYALCOAYGXPMRER-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 36512164
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 40927553
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone (CID 108533858) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C1CCCCC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is YALCOAYGXPMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24(22-14-8-3-9-15-22)26-16-18-27(19-17-26)25(29)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 390.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 108533858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).