1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone

C19H24N2O2S — CID 16671127

IUPAC1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1cccc(CN2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-13-20(14-16-5-3-6-17(11-16)23-2)8-9-21(15)19(22)12-18-7-4-10-24-18/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m0/s1
InChIKeyINQAJKSOPBUYDN-HNNXBMFYSA-N
MW344.48 g/mol
LogP3.03
Rot. Bonds5

About 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone

1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16671127) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16671127
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1cccc(CN2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-13-20(14-16-5-3-6-17(11-16)23-2)8-9-21(15)19(22)12-18-7-4-10-24-18/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m0/s1
InChIKeyINQAJKSOPBUYDN-HNNXBMFYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 16671123
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16671279
(2-tert-butylpyrimidin-5-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
CID 51593320
(6-chloro-3-pyridinyl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
CID 16671311
3-(3-methoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709205
[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 16671497
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-methoxy-1-[(2R)-4-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]ethanone
CID 93117072
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
2-(4-methoxyphenyl)-1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
CID 5161595

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (CID 16671127) is 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is COc1cccc(CN2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)c1.
What is the InChIKey of 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is INQAJKSOPBUYDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-13-20(14-16-5-3-6-17(11-16)23-2)8-9-21(15)19(22)12-18-7-4-10-24-18/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 344.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16671127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).