(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide

C23H37F3N6O — CID 166704658

IUPAC(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C23H37F3N6O/c1-16-13-31(20-12-27-19(11-28-20)23(24,25)26)14-17(2)32(16)21(33)29-10-18-6-8-30(9-7-18)15-22(3,4)5/h11-12,16-18H,6-10,13-15H2,1-5H3,(H,29,33)/t16-,17+
InChIKeyXSFHCAJMUDRJPC-CALCHBBNSA-N
MW470.58 g/mol
LogP3.86
Rot. Bonds4

About (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide

(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 166704658) has the molecular formula C23H37F3N6O and a molecular weight of 470.58 g/mol. Its IUPAC name is (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID166704658
Molecular FormulaC23H37F3N6O
Molecular Weight470.58 g/mol
Exact Mass470.30
IUPAC Name(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C23H37F3N6O/c1-16-13-31(20-12-27-19(11-28-20)23(24,25)26)14-17(2)32(16)21(33)29-10-18-6-8-30(9-7-18)15-22(3,4)5/h11-12,16-18H,6-10,13-15H2,1-5H3,(H,29,33)/t16-,17+
InChIKeyXSFHCAJMUDRJPC-CALCHBBNSA-N
XLogP3.86
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 95825566
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide;hydrochloride
CID 118741793
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
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
(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
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
tert-butyl N-[(1R,2R)-2-[[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]amino]cyclohexyl]carbamate
CID 71233218
[(1R,2R)-2-[[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid
CID 89686803

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (CID 166704658) is (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide is C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CC(C)(C)C)CC1.
What is the InChIKey of (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is XSFHCAJMUDRJPC-CALCHBBNSA-N. The full InChI is InChI=1S/C23H37F3N6O/c1-16-13-31(20-12-27-19(11-28-20)23(24,25)26)14-17(2)32(16)21(33)29-10-18-6-8-30(9-7-18)15-22(3,4)5/h11-12,16-18H,6-10,13-15H2,1-5H3,(H,29,33)/t16-,17+.
What are the key properties of (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 166704658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).