N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide

C18H28N4O — CID 163348936

IUPACN-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cc(N2CCC(NC(=O)C(C)(C)C)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H28N4O/c1-12-11-15(21-16(19-12)13-5-6-13)22-9-7-14(8-10-22)20-17(23)18(2,3)4/h11,13-14H,5-10H2,1-4H3,(H,20,23)
InChIKeyNOLHPHDRDJNVFK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 163348936) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID163348936
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cc(N2CCC(NC(=O)C(C)(C)C)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H28N4O/c1-12-11-15(21-16(19-12)13-5-6-13)22-9-7-14(8-10-22)20-17(23)18(2,3)4/h11,13-14H,5-10H2,1-4H3,(H,20,23)
InChIKeyNOLHPHDRDJNVFK-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 171328002
N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166603155
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172892797
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348983
[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 68579922

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide (CID 163348936) is N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide is Cc1cc(N2CCC(NC(=O)C(C)(C)C)CC2)nc(C2CC2)n1.
What is the InChIKey of N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is NOLHPHDRDJNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-12-11-15(21-16(19-12)13-5-6-13)22-9-7-14(8-10-22)20-17(23)18(2,3)4/h11,13-14H,5-10H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 316.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163348936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).