1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

C18H25FN2O3 — CID 136526006

IUPAC1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-23-17-13-14(19)4-6-16(17)20-8-10-21(11-9-20)18(22)7-5-15-3-2-12-24-15/h4,6,13,15H,2-3,5,7-12H2,1H3
InChIKeyCPOAMSUPCKCRED-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 136526006) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID136526006
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-23-17-13-14(19)4-6-16(17)20-8-10-21(11-9-20)18(22)7-5-15-3-2-12-24-15/h4,6,13,15H,2-3,5,7-12H2,1H3
InChIKeyCPOAMSUPCKCRED-UHFFFAOYSA-N
XLogP2.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401856
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2S)-oxetan-2-yl]propan-1-one
CID 164631101
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888920
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
2-(4-aminophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888892
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
5-[(2,4-difluorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 42756404
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51103888
5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 4992550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 136526006) is 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is COc1cc(F)ccc1N1CCN(C(=O)CCC2CCCO2)CC1.
What is the InChIKey of 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is CPOAMSUPCKCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-23-17-13-14(19)4-6-16(17)20-8-10-21(11-9-20)18(22)7-5-15-3-2-12-24-15/h4,6,13,15H,2-3,5,7-12H2,1H3.
What are the key properties of 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 336.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 136526006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).