1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one

C17H23N3O3 — CID 141490582

IUPAC1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3CCCN3)C(C)C2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-12-16(21)20(13-5-7-14(23-2)8-6-13)11-10-19(12)17(22)15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyGFHGFDZXQRKXMP-CVRLYYSRSA-N
MW317.39 g/mol
LogP1.01
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one

1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one (PubChem CID 141490582) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
PubChem CID141490582
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3CCCN3)C(C)C2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-12-16(21)20(13-5-7-14(23-2)8-6-13)11-10-19(12)17(22)15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyGFHGFDZXQRKXMP-CVRLYYSRSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
CID 24716466
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one (CID 141490582) is 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one is COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one?
The InChIKey is GFHGFDZXQRKXMP-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-16(21)20(13-5-7-14(23-2)8-6-13)11-10-19(12)17(22)15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one?
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 141490582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).