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

C19H28N2O4 — CID 110109329

IUPAC1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1CC1(O)CCOCC1
InChIInChI=1S/C19H28N2O4/c1-15(22)20-9-10-21(14-19(23)7-11-25-12-8-19)17(13-20)16-5-3-4-6-18(16)24-2/h3-6,17,23H,7-14H2,1-2H3
InChIKeyZWDFZXUNGPGOCC-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.44
Rot. Bonds4

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

1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 110109329) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID110109329
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1CC1(O)CCOCC1
InChIInChI=1S/C19H28N2O4/c1-15(22)20-9-10-21(14-19(23)7-11-25-12-8-19)17(13-20)16-5-3-4-6-18(16)24-2/h3-6,17,23H,7-14H2,1-2H3
InChIKeyZWDFZXUNGPGOCC-UHFFFAOYSA-N
XLogP1.44
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124939881
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
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-[(2S)-2-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperazin-1-yl]ethanone
CID 129460072
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 124998730
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 110109329) is 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1C1CN(C(C)=O)CCN1CC1(O)CCOCC1.
What is the InChIKey of 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ZWDFZXUNGPGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(22)20-9-10-21(14-19(23)7-11-25-12-8-19)17(13-20)16-5-3-4-6-18(16)24-2/h3-6,17,23H,7-14H2,1-2H3.
What are the key properties of 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 348.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110109329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).