N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C15H24N4O — CID 109311314

IUPACN-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)NC(C)(C)C)n2)C1
InChIInChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)14-16-8-7-12(17-14)13(20)18-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyXHKOIIVCJPPGJY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds2

About N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109311314) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109311314
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)NC(C)(C)C)n2)C1
InChIInChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)14-16-8-7-12(17-14)13(20)18-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyXHKOIIVCJPPGJY-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109308302
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109310002
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109311314) is N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2nccc(C(=O)NC(C)(C)C)n2)C1.
What is the InChIKey of N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is XHKOIIVCJPPGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)14-16-8-7-12(17-14)13(20)18-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).