N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H19F2N5O2 — CID 119700358

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)25-14-4-2-1-3-11(14)9-20-15(24)13-10-23(22-21-13)12-5-7-19-8-6-12/h1-4,10,12,16,19H,5-9H2,(H,20,24)
InChIKeyHVNJBVHGKCOTHT-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.73
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119700358) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119700358
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)25-14-4-2-1-3-11(14)9-20-15(24)13-10-23(22-21-13)12-5-7-19-8-6-12/h1-4,10,12,16,19H,5-9H2,(H,20,24)
InChIKeyHVNJBVHGKCOTHT-UHFFFAOYSA-N
XLogP1.73
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119816488
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
CID 119734208
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
1-piperidin-4-yl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 119821310
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811777
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119700358) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HVNJBVHGKCOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c17-16(18)25-14-4-2-1-3-11(14)9-20-15(24)13-10-23(22-21-13)12-5-7-19-8-6-12/h1-4,10,12,16,19H,5-9H2,(H,20,24).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119700358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).