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

C19H28N2O3 — CID 120734905

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-23-18-5-3-2-4-16(18)17-14-20-10-11-21(17)19(22)7-6-15-8-12-24-13-9-15/h2-5,15,17,20H,6-14H2,1H3
InChIKeyFLXMNCRYHDZIKR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.37
Rot. Bonds5

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

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one (PubChem CID 120734905) 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-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
PubChem CID120734905
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCC1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-23-18-5-3-2-4-16(18)17-14-20-10-11-21(17)19(22)7-6-15-8-12-24-13-9-15/h2-5,15,17,20H,6-14H2,1H3
InChIKeyFLXMNCRYHDZIKR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one (CID 120734905) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one is COc1ccccc1C1CNCCN1C(=O)CCC1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one?
The InChIKey is FLXMNCRYHDZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-5-3-2-4-16(18)17-14-20-10-11-21(17)19(22)7-6-15-8-12-24-13-9-15/h2-5,15,17,20H,6-14H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.37, 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-4-yl)propan-1-one is sourced from PubChem (CID 120734905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).