3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide

C12H21N3O2 — CID 106256043

IUPAC3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C12H21N3O2/c1-8-4-3-6-13-10(8)11(16)14-9-5-7-15(2)12(9)17/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyNXFBUHRUBODUSS-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds2

About 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide

3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide (PubChem CID 106256043) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
PubChem CID106256043
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C12H21N3O2/c1-8-4-3-6-13-10(8)11(16)14-9-5-7-15(2)12(9)17/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyNXFBUHRUBODUSS-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)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 103796632
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119322684
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
CID 62340806
3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
N-(3-hydroxycyclohexyl)-3-methylpiperidine-2-carboxamide
CID 107067254
3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 106257801
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
CID 107221723
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide (CID 106256043) is 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide is CC1CCCNC1C(=O)NC1CCN(C)C1=O.
What is the InChIKey of 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide?
The InChIKey is NXFBUHRUBODUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-4-3-6-13-10(8)11(16)14-9-5-7-15(2)12(9)17/h8-10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide?
3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-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 3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 106256043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).