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

C16H23F3N4O — CID 99855082

IUPAC(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C)cnc2C)C1
InChIInChI=1S/C16H23F3N4O/c1-4-22(10-16(17,18)19)15(24)13-6-5-7-23(9-13)14-12(3)20-8-11(2)21-14/h8,13H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyPUTFFKGODPTHLK-CYBMUJFWSA-N
MW344.38 g/mol
LogP2.72
Rot. Bonds4

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

(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 99855082) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID99855082
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C)cnc2C)C1
InChIInChI=1S/C16H23F3N4O/c1-4-22(10-16(17,18)19)15(24)13-6-5-7-23(9-13)14-12(3)20-8-11(2)21-14/h8,13H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyPUTFFKGODPTHLK-CYBMUJFWSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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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
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
[(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 99855082) is (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C)cnc2C)C1.
What is the InChIKey of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PUTFFKGODPTHLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-4-22(10-16(17,18)19)15(24)13-6-5-7-23(9-13)14-12(3)20-8-11(2)21-14/h8,13H,4-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 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-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 99855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).