1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

C18H27N3O2 — CID 24719056

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(22)21-9-5-6-16(14-21)19-10-12-20(13-11-19)17-7-3-4-8-18(17)23-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3
InChIKeyGEPNDMINFGZPKW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24719056) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24719056
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(22)21-9-5-6-16(14-21)19-10-12-20(13-11-19)17-7-3-4-8-18(17)23-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3
InChIKeyGEPNDMINFGZPKW-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 42532617
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 24719056) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is COc1ccccc1N1CCN(C2CCCN(C(C)=O)C2)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is GEPNDMINFGZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(22)21-9-5-6-16(14-21)19-10-12-20(13-11-19)17-7-3-4-8-18(17)23-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24719056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).