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

C18H28N4O2 — CID 110258145

IUPAC3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
SMILESCc1cc(CCC(=O)NC2CCOCC2)nc(C2CCCNC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-11-16(22-18(20-13)14-3-2-8-19-12-14)4-5-17(23)21-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,21,23)
InChIKeyMETRXJYWNXIGLU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.48
Rot. Bonds5

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

3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide (PubChem CID 110258145) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
PubChem CID110258145
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
SMILESCc1cc(CCC(=O)NC2CCOCC2)nc(C2CCCNC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-11-16(22-18(20-13)14-3-2-8-19-12-14)4-5-17(23)21-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,21,23)
InChIKeyMETRXJYWNXIGLU-UHFFFAOYSA-N
XLogP1.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide (CID 110258145) is 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide is Cc1cc(CCC(=O)NC2CCOCC2)nc(C2CCCNC2)n1.
What is the InChIKey of 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The InChIKey is METRXJYWNXIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-11-16(22-18(20-13)14-3-2-8-19-12-14)4-5-17(23)21-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,21,23).
What are the key properties of 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 110258145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).