(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide

C24H31F3N6O — CID 166704368

IUPAC(2R,6R)-N-(1-benzylpiperidin-4-yl)-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)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31F3N6O/c1-17-14-32(22-13-28-21(12-29-22)24(25,26)27)15-18(2)33(17)23(34)30-20-8-10-31(11-9-20)16-19-6-4-3-5-7-19/h3-7,12-13,17-18,20H,8-11,14-16H2,1-2H3,(H,30,34)/t17-,18-/m1/s1
InChIKeyVNQJKAQWQBMKFF-QZTJIDSGSA-N
MW476.55 g/mol
LogP3.77
Rot. Bonds4

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

(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 166704368) has the molecular formula C24H31F3N6O and a molecular weight of 476.55 g/mol. Its IUPAC name is (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID166704368
Molecular FormulaC24H31F3N6O
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name(2R,6R)-N-(1-benzylpiperidin-4-yl)-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)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31F3N6O/c1-17-14-32(22-13-28-21(12-29-22)24(25,26)27)15-18(2)33(17)23(34)30-20-8-10-31(11-9-20)16-19-6-4-3-5-7-19/h3-7,12-13,17-18,20H,8-11,14-16H2,1-2H3,(H,30,34)/t17-,18-/m1/s1
InChIKeyVNQJKAQWQBMKFF-QZTJIDSGSA-N
XLogP3.77
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1-benzylpiperidin-4-yl)methyl (2S,6R)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 166704553
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 166704671
(2R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 166704772
(2S,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
CID 166704423
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(5-methoxypyrazin-2-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 140942757
(2R,6S)-N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 170258631
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[5-(difluoromethoxy)pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 140942728
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] (2R)-2-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 166705002
(2R,6R)-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 166704686
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
(2R,6S)-N-(1-benzylpiperidin-4-yl)-4-(4-cyano-3-methoxyphenyl)-2,6-dimethylpiperazine-1-carboxamide
CID 166704840
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (CID 166704368) is (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for (2R,6R)-N-(1-benzylpiperidin-4-yl)-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)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is VNQJKAQWQBMKFF-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H31F3N6O/c1-17-14-32(22-13-28-21(12-29-22)24(25,26)27)15-18(2)33(17)23(34)30-20-8-10-31(11-9-20)16-19-6-4-3-5-7-19/h3-7,12-13,17-18,20H,8-11,14-16H2,1-2H3,(H,30,34)/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 166704368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).