3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide

C12H23N3O — CID 63135348

IUPAC3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C12H23N3O/c1-12(5-3-6-13-9-12)11(16)14-10-4-7-15(2)8-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyJOLWLVZEXYNHNF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.20
Rot. Bonds2

About 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide

3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide (PubChem CID 63135348) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
PubChem CID63135348
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C12H23N3O/c1-12(5-3-6-13-9-12)11(16)14-10-4-7-15(2)8-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyJOLWLVZEXYNHNF-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide (CID 63135348) is 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide is CN1CCC(NC(=O)C2(C)CCCNC2)C1.
What is the InChIKey of 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide?
The InChIKey is JOLWLVZEXYNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(5-3-6-13-9-12)11(16)14-10-4-7-15(2)8-10/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide?
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.20, 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-methylpyrrolidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63135348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).