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

C13H20N4O — CID 47328498

IUPAC2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCCCC2C)n1
InChIInChI=1S/C13H20N4O/c1-10-5-3-4-8-17(10)13(18)15-9-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyFNFGIGYXUUNROK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds2

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

2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 47328498) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID47328498
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCCCC2C)n1
InChIInChI=1S/C13H20N4O/c1-10-5-3-4-8-17(10)13(18)15-9-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyFNFGIGYXUUNROK-UHFFFAOYSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 128942253
(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124626241
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (CID 47328498) is 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is Cc1nccc(CNC(=O)N2CCCCC2C)n1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is FNFGIGYXUUNROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-5-3-4-8-17(10)13(18)15-9-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 47328498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).