4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C16H24N4O2 — CID 66505270

IUPAC4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O2/c1-12-14(15(21)17-10-13-6-5-9-22-13)11-18-16(19-12)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3,(H,17,21)
InChIKeyLOGFARRABYSYAU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds4

About 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 66505270) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID66505270
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O2/c1-12-14(15(21)17-10-13-6-5-9-22-13)11-18-16(19-12)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3,(H,17,21)
InChIKeyLOGFARRABYSYAU-UHFFFAOYSA-N
XLogP1.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 66505270) is 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is LOGFARRABYSYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-14(15(21)17-10-13-6-5-9-22-13)11-18-16(19-12)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3,(H,17,21).
What are the key properties of 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).