1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone

C20H30N2O3 — CID 124939881

IUPAC1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC1(O)CCCCC1
InChIInChI=1S/C20H30N2O3/c1-16(23)21-12-13-22(15-20(24)10-6-3-7-11-20)18(14-21)17-8-4-5-9-19(17)25-2/h4-5,8-9,18,24H,3,6-7,10-15H2,1-2H3/t18-/m0/s1
InChIKeyACJDJPDUIXWJEW-SFHVURJKSA-N
MW346.47 g/mol
LogP2.60
Rot. Bonds4

About 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 124939881) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID124939881
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC1(O)CCCCC1
InChIInChI=1S/C20H30N2O3/c1-16(23)21-12-13-22(15-20(24)10-6-3-7-11-20)18(14-21)17-8-4-5-9-19(17)25-2/h4-5,8-9,18,24H,3,6-7,10-15H2,1-2H3/t18-/m0/s1
InChIKeyACJDJPDUIXWJEW-SFHVURJKSA-N
XLogP2.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109329
1-[(3S)-3-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethanone
CID 124953559
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 124954167
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 125018257
2-[4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110122264
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 124939881) is 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ACJDJPDUIXWJEW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(23)21-12-13-22(15-20(24)10-6-3-7-11-20)18(14-21)17-8-4-5-9-19(17)25-2/h4-5,8-9,18,24H,3,6-7,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124939881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).