1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide

C23H35N3O2 — CID 55717401

IUPAC1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCCCN3CCCCC3C)CC2=O)c1C
InChIInChI=1S/C23H35N3O2/c1-17-9-8-11-21(19(17)3)26-16-20(15-22(26)27)23(28)24-12-5-7-14-25-13-6-4-10-18(25)2/h8-9,11,18,20H,4-7,10,12-16H2,1-3H3,(H,24,28)
InChIKeyQJIJABKNCMGLTD-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.43
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55717401) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55717401
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCCCN3CCCCC3C)CC2=O)c1C
InChIInChI=1S/C23H35N3O2/c1-17-9-8-11-21(19(17)3)26-16-20(15-22(26)27)23(28)24-12-5-7-14-25-13-6-4-10-18(25)2/h8-9,11,18,20H,4-7,10,12-16H2,1-3H3,(H,24,28)
InChIKeyQJIJABKNCMGLTD-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
1-(2,3-dimethylphenyl)-N-[4-(4-fluorophenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 46593308
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186297
(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 124833954
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 52792137
N-(3-chloropropyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080703
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366317
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide (CID 55717401) is 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCCCCN3CCCCC3C)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QJIJABKNCMGLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-9-8-11-21(19(17)3)26-16-20(15-22(26)27)23(28)24-12-5-7-14-25-13-6-4-10-18(25)2/h8-9,11,18,20H,4-7,10,12-16H2,1-3H3,(H,24,28).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55717401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).