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

C18H28N4O2 — CID 110258144

IUPAC3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
SMILESCc1nc(CCC(=O)NC2CCOCC2)cc(C2CCCNC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-20-16(11-17(21-13)14-3-2-8-19-12-14)4-5-18(23)22-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,22,23)
InChIKeyVIXMVEBTTGMRNG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.48
Rot. Bonds5

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

3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide (PubChem CID 110258144) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
PubChem CID110258144
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
SMILESCc1nc(CCC(=O)NC2CCOCC2)cc(C2CCCNC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-20-16(11-17(21-13)14-3-2-8-19-12-14)4-5-18(23)22-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,22,23)
InChIKeyVIXMVEBTTGMRNG-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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Related Compounds

3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
CID 110258145
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56722075
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-(oxan-4-yl)-2-(piperidin-3-ylmethoxy)acetamide
CID 63098360
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 124943919
ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
CID 124953490
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
3-[6-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 124996733
2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125015515
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 126436811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide (CID 110258144) is 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide is Cc1nc(CCC(=O)NC2CCOCC2)cc(C2CCCNC2)n1.
What is the InChIKey of 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
The InChIKey is VIXMVEBTTGMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-20-16(11-17(21-13)14-3-2-8-19-12-14)4-5-18(23)22-15-6-9-24-10-7-15/h11,14-15,19H,2-10,12H2,1H3,(H,22,23).
What are the key properties of 3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide?
3-(2-methyl-6-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-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 110258144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).