4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one

C18H26N2O — CID 166367359

IUPAC4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-18(21)19-11-12-20(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyFBHSSFSFTLXINC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one

4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 166367359) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
PubChem CID166367359
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-18(21)19-11-12-20(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyFBHSSFSFTLXINC-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 74239154
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
3-[2-fluoro-5-[(2-methyl-3-oxopiperazin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77000639
4-[2-(4-aminophenyl)ethyl]-3-methylpiperazin-2-one
CID 63596462
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 63595615
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
2-methoxy-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 106788878
4-[(4-methylphenyl)methyl]-3-[2-oxo-2-(3-pyridin-4-ylazetidin-1-yl)ethyl]piperazin-2-one
CID 119069940
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
4-[(2-amino-6-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63597180
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one (CID 166367359) is 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is FBHSSFSFTLXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-18(21)19-11-12-20(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one?
4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 166367359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).