(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone

C19H28N2O2 — CID 764819

IUPAC(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)19(22)16-7-9-17(23-2)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyMOGLPMLTDHUJGA-MAUKXSAKSA-N
MW316.44 g/mol
LogP3.03
Rot. Bonds3

About (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone (PubChem CID 764819) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
PubChem CID764819
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)19(22)16-7-9-17(23-2)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyMOGLPMLTDHUJGA-MAUKXSAKSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone;oxalic acid
CID 17385060
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925833
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclohexane-1-carboxamide
CID 59992087
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[4-[(1S,2S)-2-methoxycyclohexyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26771859
3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 136537706

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone (CID 764819) is (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone?
The InChIKey is MOGLPMLTDHUJGA-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)19(22)16-7-9-17(23-2)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone is sourced from PubChem (CID 764819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).