1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide

C18H28N4O2 — CID 71703610

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCC3CCOCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-11-14(2)21-18(20-13)22-7-3-16(4-8-22)17(23)19-12-15-5-9-24-10-6-15/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyAAHAVPKGAPSYAU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.85
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 71703610) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
PubChem CID71703610
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCC3CCOCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-11-14(2)21-18(20-13)22-7-3-16(4-8-22)17(23)19-12-15-5-9-24-10-6-15/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyAAHAVPKGAPSYAU-UHFFFAOYSA-N
XLogP1.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 5154889
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
1-(4,6-dimethylpyrimidin-2-yl)-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 108793916

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide (CID 71703610) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCC3CCOCC3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AAHAVPKGAPSYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-11-14(2)21-18(20-13)22-7-3-16(4-8-22)17(23)19-12-15-5-9-24-10-6-15/h11,15-16H,3-10,12H2,1-2H3,(H,19,23).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71703610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).