(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C24H30N2O2 — CID 46562920

IUPAC(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-28-23-9-5-8-22(18-23)25-14-16-26(17-15-25)24(27)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h5,8-13,18-19H,2-4,6-7,14-17H2,1H3
InChIKeyVSQKDNCXXXTGIA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.71
Rot. Bonds4

About (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46562920) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46562920
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-28-23-9-5-8-22(18-23)25-14-16-26(17-15-25)24(27)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h5,8-13,18-19H,2-4,6-7,14-17H2,1H3
InChIKeyVSQKDNCXXXTGIA-UHFFFAOYSA-N
XLogP4.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9273655
3-[4-(4-cyclohexylphenyl)piperazine-1-carbonyl]benzoate
CID 2051794
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 46562920) is (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)c1.
What is the InChIKey of (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VSQKDNCXXXTGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23-9-5-8-22(18-23)25-14-16-26(17-15-25)24(27)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h5,8-13,18-19H,2-4,6-7,14-17H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46562920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).