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

C19H21F3N4O2 — CID 134004681

IUPACN-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25(13-14-2-4-16(5-3-14)28-19(20,21)22)18(27)15-6-10-26(11-7-15)17-12-23-8-9-24-17/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyOKAOSGCWUMGYHV-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.25
Rot. Bonds5

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

N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134004681) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134004681
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25(13-14-2-4-16(5-3-14)28-19(20,21)22)18(27)15-6-10-26(11-7-15)17-12-23-8-9-24-17/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyOKAOSGCWUMGYHV-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46580296
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71786437
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 146123959
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 134004681) is N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OKAOSGCWUMGYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25(13-14-2-4-16(5-3-14)28-19(20,21)22)18(27)15-6-10-26(11-7-15)17-12-23-8-9-24-17/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3.
What are the key properties of N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134004681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).