N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H17F3N4O2 — CID 75440006

IUPACN-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H17F3N4O2/c1-22-11-5-10(17-8-18-11)19-12(21)9-3-2-4-20(6-9)7-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18,19,21)
InChIKeyBTPMMJQWOHNEQH-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.70
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75440006) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75440006
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H17F3N4O2/c1-22-11-5-10(17-8-18-11)19-12(21)9-3-2-4-20(6-9)7-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18,19,21)
InChIKeyBTPMMJQWOHNEQH-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-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-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
N-(6-methoxypyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71795731
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
(3S)-1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 171359925
4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 138043020
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methyl]carbamic acid
CID 122651643
1-[(3S,4S)-4-amino-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521100
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855
3-(6-Methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
CID 75484499
4,4,4-trifluoro-N-(6-methoxypyrimidin-4-yl)butanamide
CID 75496317
1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75510036

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75440006) is N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is BTPMMJQWOHNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-22-11-5-10(17-8-18-11)19-12(21)9-3-2-4-20(6-9)7-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18,19,21).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75440006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).