2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone

C20H31N3O2 — CID 95293833

IUPAC2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1
InChIInChI=1S/C20H31N3O2/c1-21-10-6-5-8-18(21)16-22-11-13-23(14-12-22)20(24)15-17-7-3-4-9-19(17)25-2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3/t18-/m0/s1
InChIKeyMQTRSIQCJMJJPZ-SFHVURJKSA-N
MW345.49 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 95293833) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID95293833
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1
InChIInChI=1S/C20H31N3O2/c1-21-10-6-5-8-18(21)16-22-11-13-23(14-12-22)20(24)15-17-7-3-4-9-19(17)25-2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3/t18-/m0/s1
InChIKeyMQTRSIQCJMJJPZ-SFHVURJKSA-N
XLogP1.87
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 95615873
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone (CID 95293833) is 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is MQTRSIQCJMJJPZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21-10-6-5-8-18(21)16-22-11-13-23(14-12-22)20(24)15-17-7-3-4-9-19(17)25-2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95293833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).