N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C12H15F3N4O2 — CID 84601054

IUPACN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H15F3N4O2/c1-21-10-6-9(16-7-17-10)18-11(20)19-4-2-8(3-5-19)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18,20)
InChIKeyRFPMRQNUDKHQLC-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.29
Rot. Bonds2

About N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 84601054) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID84601054
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H15F3N4O2/c1-21-10-6-9(16-7-17-10)18-11(20)19-4-2-8(3-5-19)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18,20)
InChIKeyRFPMRQNUDKHQLC-UHFFFAOYSA-N
XLogP2.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-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

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
1-(Dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600483
1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
N-(6-methoxypyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71795731
1-Butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 75454038
6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 91660989
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 138043020
4-Ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 70938246
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methyl]carbamic acid
CID 122651643

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 84601054) is N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(C(F)(F)F)CC2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is RFPMRQNUDKHQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-21-10-6-9(16-7-17-10)18-11(20)19-4-2-8(3-5-19)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18,20).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84601054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).