N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C12H18N4O — CID 53010005

IUPACN-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C12H18N4O/c1-9-3-6-14-12(15-9)16-7-4-10(5-8-16)11(17)13-2/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,17)
InChIKeyCBFSTLIRHMUESG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.75
Rot. Bonds2

About N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53010005) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53010005
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C12H18N4O/c1-9-3-6-14-12(15-9)16-7-4-10(5-8-16)11(17)13-2/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,17)
InChIKeyCBFSTLIRHMUESG-UHFFFAOYSA-N
XLogP0.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53010005) is N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is CBFSTLIRHMUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-3-6-14-12(15-9)16-7-4-10(5-8-16)11(17)13-2/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53010005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).