N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide

C16H24N4O — CID 122352828

IUPACN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1cc(CNC(=O)C2CCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-10-14(11-17-15(21)13-6-5-7-13)19-16(18-12)20-8-3-2-4-9-20/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyJBMFJGVJKNNXFG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.19
Rot. Bonds4

About N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 122352828) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
PubChem CID122352828
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1cc(CNC(=O)C2CCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-10-14(11-17-15(21)13-6-5-7-13)19-16(18-12)20-8-3-2-4-9-20/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyJBMFJGVJKNNXFG-UHFFFAOYSA-N
XLogP2.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352211
1-(4-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122352811
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352440
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide (CID 122352828) is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide is Cc1cc(CNC(=O)C2CCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is JBMFJGVJKNNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-10-14(11-17-15(21)13-6-5-7-13)19-16(18-12)20-8-3-2-4-9-20/h10,13H,2-9,11H2,1H3,(H,17,21).
What are the key properties of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide?
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 122352828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).