(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H19F3N4O — CID 99855088

IUPAC(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C14H19F3N4O/c1-9-6-18-10(2)12(20-9)21-5-3-4-11(7-21)13(22)19-8-14(15,16)17/h6,11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyGDBIIDOIUSSCAX-LLVKDONJSA-N
MW316.33 g/mol
LogP1.99
Rot. Bonds3

About (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 99855088) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID99855088
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C14H19F3N4O/c1-9-6-18-10(2)12(20-9)21-5-3-4-11(7-21)13(22)19-8-14(15,16)17/h6,11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyGDBIIDOIUSSCAX-LLVKDONJSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(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

(rel-(1R,3S)-3-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}cyclopentyl)amine dihydrochloride
CID 56897802
N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
2-cyclohexyl-N-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 91648232
trans-4-{[(3,6-dimethylpyrazin-2-yl)amino]methyl}-N-methylcyclohexanecarboxamide
CID 132425698
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 57843641
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68816636
(4-Propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 68817107
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68817543
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 69145456
1-[2-(1-Ethylpiperidin-4-yl)ethyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
CID 69915032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 99855088) is (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cnc(C)c(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1.
What is the InChIKey of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GDBIIDOIUSSCAX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-9-6-18-10(2)12(20-9)21-5-3-4-11(7-21)13(22)19-8-14(15,16)17/h6,11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 99855088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).