1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C25H31N3O4 — CID 132779090

IUPAC1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1C1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C
InChIInChI=1S/C25H31N3O4/c1-26-14-15-28(18-21(26)19-8-3-5-10-22(19)31-2)25(30)20-9-4-6-11-23(20)32-17-16-27-13-7-12-24(27)29/h3-6,8-11,21H,7,12-18H2,1-2H3
InChIKeyDQFZHUDMNJWXGA-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.83
Rot. Bonds7

About 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 132779090) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID132779090
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1C1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C
InChIInChI=1S/C25H31N3O4/c1-26-14-15-28(18-21(26)19-8-3-5-10-22(19)31-2)25(30)20-9-4-6-11-23(20)32-17-16-27-13-7-12-24(27)29/h3-6,8-11,21H,7,12-18H2,1-2H3
InChIKeyDQFZHUDMNJWXGA-UHFFFAOYSA-N
XLogP2.83
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458268
N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
CID 124941690
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
1-[2-[2-[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110136351
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 132779090) is 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is COc1ccccc1C1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C.
What is the InChIKey of 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is DQFZHUDMNJWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-26-14-15-28(18-21(26)19-8-3-5-10-22(19)31-2)25(30)20-9-4-6-11-23(20)32-17-16-27-13-7-12-24(27)29/h3-6,8-11,21H,7,12-18H2,1-2H3.
What are the key properties of 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 132779090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).