N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C18H23F2N5O3 — CID 119816488

IUPACN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1OC(F)F
InChIInChI=1S/C18H23F2N5O3/c1-2-27-15-5-3-4-12(16(15)28-18(19)20)10-22-17(26)14-11-25(24-23-14)13-6-8-21-9-7-13/h3-5,11,13,18,21H,2,6-10H2,1H3,(H,22,26)
InChIKeyUAPURIDRTRWJIC-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.13
Rot. Bonds8

About N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119816488) has the molecular formula C18H23F2N5O3 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119816488
Molecular FormulaC18H23F2N5O3
Molecular Weight395.41 g/mol
Exact Mass395.18
IUPAC NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1OC(F)F
InChIInChI=1S/C18H23F2N5O3/c1-2-27-15-5-3-4-12(16(15)28-18(19)20)10-22-17(26)14-11-25(24-23-14)13-6-8-21-9-7-13/h3-5,11,13,18,21H,2,6-10H2,1H3,(H,22,26)
InChIKeyUAPURIDRTRWJIC-UHFFFAOYSA-N
XLogP2.13
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
CID 119734208
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
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-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119816488) is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is CCOc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UAPURIDRTRWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O3/c1-2-27-15-5-3-4-12(16(15)28-18(19)20)10-22-17(26)14-11-25(24-23-14)13-6-8-21-9-7-13/h3-5,11,13,18,21H,2,6-10H2,1H3,(H,22,26).
What are the key properties of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119816488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).