1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide

C20H29N3O3 — CID 42863369

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CCC(C(=O)N(C)C2CCN(C)CC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-14-5-6-18(26-4)17(13-14)23-12-9-16(20(23)25)19(24)22(3)15-7-10-21(2)11-8-15/h5-6,13,15-16H,7-12H2,1-4H3
InChIKeyQZKHSPZKMRNLOY-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42863369) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42863369
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CCC(C(=O)N(C)C2CCN(C)CC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-14-5-6-18(26-4)17(13-14)23-12-9-16(20(23)25)19(24)22(3)15-7-10-21(2)11-8-15/h5-6,13,15-16H,7-12H2,1-4H3
InChIKeyQZKHSPZKMRNLOY-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.91
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

3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 71955583
(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 92990959
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 46163898
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
3-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110550642
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835
1-(2-methoxy-5-methylphenyl)-N-(3-methoxy-2-pyridinyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 71910619
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119552795

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide (CID 42863369) is 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CCC(C(=O)N(C)C2CCN(C)CC2)C1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is QZKHSPZKMRNLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-5-6-18(26-4)17(13-14)23-12-9-16(20(23)25)19(24)22(3)15-7-10-21(2)11-8-15/h5-6,13,15-16H,7-12H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42863369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).