1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C18H19F3N4O2 — CID 46573519

IUPAC1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-5-3-13(4-6-15)10-24-17(26)14-2-1-9-25(12-14)16-11-22-7-8-23-16/h3-8,11,14H,1-2,9-10,12H2,(H,24,26)
InChIKeyCONZRKMVYZBFOX-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.91
Rot. Bonds5

About 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 46573519) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID46573519
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-5-3-13(4-6-15)10-24-17(26)14-2-1-9-25(12-14)16-11-22-7-8-23-16/h3-8,11,14H,1-2,9-10,12H2,(H,24,26)
InChIKeyCONZRKMVYZBFOX-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 60515935
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90612073
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 46573519) is 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is CONZRKMVYZBFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-5-3-13(4-6-15)10-24-17(26)14-2-1-9-25(12-14)16-11-22-7-8-23-16/h3-8,11,14H,1-2,9-10,12H2,(H,24,26).
What are the key properties of 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).