N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

C14H22N4O — CID 66509973

IUPACN-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCNC(=O)CCc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-10-17-12(3-4-14(19)15-2)9-13(18-10)11-5-7-16-8-6-11/h9,11,16H,3-8H2,1-2H3,(H,15,19)
InChIKeyMCLXQWUDYAWCBT-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.93
Rot. Bonds4

About N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (PubChem CID 66509973) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
PubChem CID66509973
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCNC(=O)CCc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-10-17-12(3-4-14(19)15-2)9-13(18-10)11-5-7-16-8-6-11/h9,11,16H,3-8H2,1-2H3,(H,15,19)
InChIKeyMCLXQWUDYAWCBT-UHFFFAOYSA-N
XLogP0.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (CID 66509973) is N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is CNC(=O)CCc1cc(C2CCNCC2)nc(C)n1.
What is the InChIKey of N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The InChIKey is MCLXQWUDYAWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-17-12(3-4-14(19)15-2)9-13(18-10)11-5-7-16-8-6-11/h9,11,16H,3-8H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide has a molecular weight of 262.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 66509973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).