4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide

C13H19N3O — CID 115742442

IUPAC4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C13H19N3O/c1-10-5-7-16(8-6-10)13(17)15-12-4-3-11(2)14-9-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyJCMZNRZMVJRHSU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds1

About 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide

4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 115742442) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
PubChem CID115742442
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C13H19N3O/c1-10-5-7-16(8-6-10)13(17)15-12-4-3-11(2)14-9-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyJCMZNRZMVJRHSU-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide (CID 115742442) is 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C)CC2)cn1.
What is the InChIKey of 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is JCMZNRZMVJRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-7-16(8-6-10)13(17)15-12-4-3-11(2)14-9-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 115742442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).