N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H18ClF2N5O2 — CID 119813950

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18ClF2N5O2/c17-11-1-2-14(26-16(18)19)10(7-11)8-21-15(25)13-9-24(23-22-13)12-3-5-20-6-4-12/h1-2,7,9,12,16,20H,3-6,8H2,(H,21,25)
InChIKeyZWTTVXUAVWAMAC-UHFFFAOYSA-N
MW385.80 g/mol
LogP2.39
Rot. Bonds6

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119813950) has the molecular formula C16H18ClF2N5O2 and a molecular weight of 385.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119813950
Molecular FormulaC16H18ClF2N5O2
Molecular Weight385.80 g/mol
Exact Mass385.11
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18ClF2N5O2/c17-11-1-2-14(26-16(18)19)10(7-11)8-21-15(25)13-9-24(23-22-13)12-3-5-20-6-4-12/h1-2,7,9,12,16,20H,3-6,8H2,(H,21,25)
InChIKeyZWTTVXUAVWAMAC-UHFFFAOYSA-N
XLogP2.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119816488
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811777
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816303
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119813950) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1cc(Cl)ccc1OC(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ZWTTVXUAVWAMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N5O2/c17-11-1-2-14(26-16(18)19)10(7-11)8-21-15(25)13-9-24(23-22-13)12-3-5-20-6-4-12/h1-2,7,9,12,16,20H,3-6,8H2,(H,21,25).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 385.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119813950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).