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

C17H26N4O — CID 95826676

IUPACN-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(=O)NC2CCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H26N4O/c1-12-19-15(5-6-17(22)21-14-3-2-4-14)11-16(20-12)13-7-9-18-10-8-13/h11,13-14,18H,2-10H2,1H3,(H,21,22)
InChIKeyXLZXAIWYCPHORT-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.85
Rot. Bonds5

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

N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (PubChem CID 95826676) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
PubChem CID95826676
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(=O)NC2CCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H26N4O/c1-12-19-15(5-6-17(22)21-14-3-2-4-14)11-16(20-12)13-7-9-18-10-8-13/h11,13-14,18H,2-10H2,1H3,(H,21,22)
InChIKeyXLZXAIWYCPHORT-UHFFFAOYSA-N
XLogP1.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (CID 95826676) is N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is Cc1nc(CCC(=O)NC2CCC2)cc(C2CCNCC2)n1.
What is the InChIKey of N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The InChIKey is XLZXAIWYCPHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-19-15(5-6-17(22)21-14-3-2-4-14)11-16(20-12)13-7-9-18-10-8-13/h11,13-14,18H,2-10H2,1H3,(H,21,22).
What are the key properties of N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 95826676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).