1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C26H31N3O5 — CID 129458268

IUPAC1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C26H31N3O5/c1-19(30)28-14-15-29(22(18-28)20-8-3-5-10-23(20)33-2)26(32)21-9-4-6-11-24(21)34-17-16-27-13-7-12-25(27)31/h3-6,8-11,22H,7,12-18H2,1-2H3/t22-/m0/s1
InChIKeySOANKBSSWREVIU-QFIPXVFZSA-N
MW465.55 g/mol
LogP2.74
Rot. Bonds7

About 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 129458268) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID129458268
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C26H31N3O5/c1-19(30)28-14-15-29(22(18-28)20-8-3-5-10-23(20)33-2)26(32)21-9-4-6-11-24(21)34-17-16-27-13-7-12-25(27)31/h3-6,8-11,22H,7,12-18H2,1-2H3/t22-/m0/s1
InChIKeySOANKBSSWREVIU-QFIPXVFZSA-N
XLogP2.74
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132779090
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
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
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
CID 124941690
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
1-[3-[3-(2-methoxyphenyl)-1,4-thiazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
CID 167794865
1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458474
1-[2-[2-[3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773003
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 129458268) is 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is SOANKBSSWREVIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-19(30)28-14-15-29(22(18-28)20-8-3-5-10-23(20)33-2)26(32)21-9-4-6-11-24(21)34-17-16-27-13-7-12-25(27)31/h3-6,8-11,22H,7,12-18H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 465.55 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 129458268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).