1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide

C21H25F3N6O — CID 46474959

IUPAC1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H25F3N6O/c22-21(23,24)16-3-4-18(27-12-16)29-10-5-17(6-11-29)28-20(31)15-2-1-9-30(14-15)19-13-25-7-8-26-19/h3-4,7-8,12-13,15,17H,1-2,5-6,9-11,14H2,(H,28,31)
InChIKeyUSGPEUSPIUSFRS-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.89
Rot. Bonds4

About 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide

1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 46474959) has the molecular formula C21H25F3N6O and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID46474959
Molecular FormulaC21H25F3N6O
Molecular Weight434.47 g/mol
Exact Mass434.20
IUPAC Name1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H25F3N6O/c22-21(23,24)16-3-4-18(27-12-16)29-10-5-17(6-11-29)28-20(31)15-2-1-9-30(14-15)19-13-25-7-8-26-19/h3-4,7-8,12-13,15,17H,1-2,5-6,9-11,14H2,(H,28,31)
InChIKeyUSGPEUSPIUSFRS-UHFFFAOYSA-N
XLogP2.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide
CID 55911639
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 112835151
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37037897
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide (CID 46474959) is 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is USGPEUSPIUSFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O/c22-21(23,24)16-3-4-18(27-12-16)29-10-5-17(6-11-29)28-20(31)15-2-1-9-30(14-15)19-13-25-7-8-26-19/h3-4,7-8,12-13,15,17H,1-2,5-6,9-11,14H2,(H,28,31).
What are the key properties of 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide?
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 46474959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).