1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

C19H28N2O3 — CID 120734193

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C19H28N2O3/c1-23-18-8-3-2-7-16(18)17-14-20-11-12-21(17)19(22)10-9-15-6-4-5-13-24-15/h2-3,7-8,15,17,20H,4-6,9-14H2,1H3
InChIKeyUAKRGVUCJYLZOC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one (PubChem CID 120734193) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
PubChem CID120734193
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C19H28N2O3/c1-23-18-8-3-2-7-16(18)17-14-20-11-12-21(17)19(22)10-9-15-6-4-5-13-24-15/h2-3,7-8,15,17,20H,4-6,9-14H2,1H3
InChIKeyUAKRGVUCJYLZOC-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
CID 120733808
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125008891
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone;hydrochloride
CID 120732822
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one (CID 120734193) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one is COc1ccccc1C1CNCCN1C(=O)CCC1CCCCO1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The InChIKey is UAKRGVUCJYLZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-8-3-2-7-16(18)17-14-20-11-12-21(17)19(22)10-9-15-6-4-5-13-24-15/h2-3,7-8,15,17,20H,4-6,9-14H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 120734193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).