(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone

C19H28N2O2 — CID 142234561

IUPAC(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccc1C
InChIInChI=1S/C19H28N2O2/c1-15-8-9-16(14-18(15)23-2)19(22)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyNJBFIGSRBOGARA-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.09
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone

(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 142234561) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID142234561
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccc1C
InChIInChI=1S/C19H28N2O2/c1-15-8-9-16(14-18(15)23-2)19(22)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyNJBFIGSRBOGARA-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
(3-methoxy-4-methylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133297540
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone (CID 142234561) is (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccc1C.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is NJBFIGSRBOGARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-9-16(14-18(15)23-2)19(22)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 316.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 142234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).