3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide

C15H24N4O — CID 53164677

IUPAC3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-15(2,3)9-13(20)18-12-10-16-14(17-11-12)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3,(H,18,20)
InChIKeyHPFAIUAESFRNHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds3

About 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide

3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide (PubChem CID 53164677) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide
PubChem CID53164677
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-15(2,3)9-13(20)18-12-10-16-14(17-11-12)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3,(H,18,20)
InChIKeyHPFAIUAESFRNHK-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide (CID 53164677) is 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide is CC(C)(C)CC(=O)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide?
The InChIKey is HPFAIUAESFRNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)9-13(20)18-12-10-16-14(17-11-12)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide?
3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-piperidin-1-ylpyrimidin-5-yl)butanamide is sourced from PubChem (CID 53164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).