1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C20H29N3O3 — CID 46062529

IUPAC1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCN(c3cc(C)cc(C)c3)C2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-15-12-16(2)14-17(13-15)23-5-4-18(20(23)25)19(24)22-8-6-21(7-9-22)10-11-26-3/h12-14,18H,4-11H2,1-3H3
InChIKeyKTYXEQNZHYGQSK-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.45
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46062529) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46062529
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCN(c3cc(C)cc(C)c3)C2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-15-12-16(2)14-17(13-15)23-5-4-18(20(23)25)19(24)22-8-6-21(7-9-22)10-11-26-3/h12-14,18H,4-11H2,1-3H3
InChIKeyKTYXEQNZHYGQSK-UHFFFAOYSA-N
XLogP1.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342
1-(3,5-dimethylphenyl)-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166193469
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
1-(3,5-dimethylphenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one
CID 91643063
3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 71955583
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 46062529) is 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one is COCCN1CCN(C(=O)C2CCN(c3cc(C)cc(C)c3)C2=O)CC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KTYXEQNZHYGQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-12-16(2)14-17(13-15)23-5-4-18(20(23)25)19(24)22-8-6-21(7-9-22)10-11-26-3/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46062529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).