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

C17H28N4O — CID 653435

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O/c1-6-17(4,5)20-15(22)14-7-9-21(10-8-14)16-18-12(2)11-13(3)19-16/h11,14H,6-10H2,1-5H3,(H,20,22)
InChIKeyXZKAKJJNLHHQRS-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.61
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 653435) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID653435
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O/c1-6-17(4,5)20-15(22)14-7-9-21(10-8-14)16-18-12(2)11-13(3)19-16/h11,14H,6-10H2,1-5H3,(H,20,22)
InChIKeyXZKAKJJNLHHQRS-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 655810
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
{[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carbonyl]-amino}-acetic acid methyl ester
CID 649308
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (CID 653435) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is XZKAKJJNLHHQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-6-17(4,5)20-15(22)14-7-9-21(10-8-14)16-18-12(2)11-13(3)19-16/h11,14H,6-10H2,1-5H3,(H,20,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 653435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).