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

C12H21N3O2 — CID 120600934

IUPAC1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CC(=O)N(C)C2)CCN1
InChIInChI=1S/C12H21N3O2/c1-8-5-10(3-4-13-8)14-12(17)9-6-11(16)15(2)7-9/h8-10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyBHXZJMGYUBJWNR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds2

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

1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 120600934) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID120600934
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CC(=O)N(C)C2)CCN1
InChIInChI=1S/C12H21N3O2/c1-8-5-10(3-4-13-8)14-12(17)9-6-11(16)15(2)7-9/h8-10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyBHXZJMGYUBJWNR-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
1-(2-methoxyethyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120602134
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119457640
N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120598192
1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600240
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120600386
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120599023
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
(3R)-1-methyl-5-oxo-N-(4-propan-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 97240549

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 120600934) is 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CC1CC(NC(=O)C2CC(=O)N(C)C2)CCN1.
What is the InChIKey of 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BHXZJMGYUBJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-5-10(3-4-13-8)14-12(17)9-6-11(16)15(2)7-9/h8-10,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120600934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).