(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C20H29N3O3 — CID 125162852

IUPAC(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(24)18-3-5-19(6-4-18)22-9-7-21(8-10-22)14-17-13-20(25)23(15-17)11-12-26-2/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1
InChIKeyOJIZENRNBKJFIC-QGZVFWFLSA-N
MW359.47 g/mol
LogP1.51
Rot. Bonds7

About (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125162852) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125162852
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(24)18-3-5-19(6-4-18)22-9-7-21(8-10-22)14-17-13-20(25)23(15-17)11-12-26-2/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1
InChIKeyOJIZENRNBKJFIC-QGZVFWFLSA-N
XLogP1.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[[4-(2,5-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125169632
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 125160982
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 125166349
1-[4-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 7440820
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
4-[[4-(cyclobutanecarbonyl)phenyl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91829961
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
3-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]propanoic acid
CID 112514282
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 125169497

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125162852) is (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O.
What is the InChIKey of (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is OJIZENRNBKJFIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(24)18-3-5-19(6-4-18)22-9-7-21(8-10-22)14-17-13-20(25)23(15-17)11-12-26-2/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125162852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).