3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride

C20H30ClN3O3 — CID 120754001

IUPAC3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C1CCN(C2CCOCC2)C1=O.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-25-19-5-3-2-4-16(19)18-14-21-9-11-23(18)17-6-10-22(20(17)24)15-7-12-26-13-8-15;/h2-5,15,17-18,21H,6-14H2,1H3;1H
InChIKeyKTCIDXJIDRNEML-UHFFFAOYSA-N
MW395.93 g/mol
LogP1.84
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride

3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 120754001) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
PubChem CID120754001
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C1CCN(C2CCOCC2)C1=O.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-25-19-5-3-2-4-16(19)18-14-21-9-11-23(18)17-6-10-22(20(17)24)15-7-12-26-13-8-15;/h2-5,15,17-18,21H,6-14H2,1H3;1H
InChIKeyKTCIDXJIDRNEML-UHFFFAOYSA-N
XLogP1.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 120754014
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 120771158
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride (CID 120754001) is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride is COc1ccccc1C1CNCCN1C1CCN(C2CCOCC2)C1=O.Cl.
What is the InChIKey of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is KTCIDXJIDRNEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-25-19-5-3-2-4-16(19)18-14-21-9-11-23(18)17-6-10-22(20(17)24)15-7-12-26-13-8-15;/h2-5,15,17-18,21H,6-14H2,1H3;1H.
What are the key properties of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120754001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).