N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide

C15H22F2N4O — CID 175648282

IUPACN-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
SMILESCc1cnc(C)c(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C15H22F2N4O/c1-10-8-18-11(2)15(20-10)21-5-3-12(4-6-21)7-14(22)19-9-13(16)17/h8,12-13H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyINCMPDTVWJJGRK-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.08
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide (PubChem CID 175648282) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
PubChem CID175648282
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
SMILESCc1cnc(C)c(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C15H22F2N4O/c1-10-8-18-11(2)15(20-10)21-5-3-12(4-6-21)7-14(22)19-9-13(16)17/h8,12-13H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyINCMPDTVWJJGRK-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
(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
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 118741796
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
tert-butyl (2S,4S)-4-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 66646555
[(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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide (CID 175648282) is N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide is Cc1cnc(C)c(N2CCC(CC(=O)NCC(F)F)CC2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide?
The InChIKey is INCMPDTVWJJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-10-8-18-11(2)15(20-10)21-5-3-12(4-6-21)7-14(22)19-9-13(16)17/h8,12-13H,3-7,9H2,1-2H3,(H,19,22).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).