N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide

C22H20F4N6O3 — CID 142705632

IUPACN-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2F)CC1)c1cn(-c2cccnc2)nn1
InChIInChI=1S/C22H20F4N6O3/c23-17-10-14(22(24,25)26)3-4-19(17)35-16-5-8-31(9-6-16)20(33)12-28-21(34)18-13-32(30-29-18)15-2-1-7-27-11-15/h1-4,7,10-11,13,16H,5-6,8-9,12H2,(H,28,34)
InChIKeyHLSDKHHVLKYRBB-UHFFFAOYSA-N
MW492.43 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide

N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide (PubChem CID 142705632) has the molecular formula C22H20F4N6O3 and a molecular weight of 492.43 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide
PubChem CID142705632
Molecular FormulaC22H20F4N6O3
Molecular Weight492.43 g/mol
Exact Mass492.15
IUPAC NameN-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2F)CC1)c1cn(-c2cccnc2)nn1
InChIInChI=1S/C22H20F4N6O3/c23-17-10-14(22(24,25)26)3-4-19(17)35-16-5-8-31(9-6-16)20(33)12-28-21(34)18-13-32(30-29-18)15-2-1-7-27-11-15/h1-4,7,10-11,13,16H,5-6,8-9,12H2,(H,28,34)
InChIKeyHLSDKHHVLKYRBB-UHFFFAOYSA-N
XLogP2.62
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 142705657
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
CID 142705693
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119622470
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121017876
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide (CID 142705632) is N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide is O=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2F)CC1)c1cn(-c2cccnc2)nn1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is HLSDKHHVLKYRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O3/c23-17-10-14(22(24,25)26)3-4-19(17)35-16-5-8-31(9-6-16)20(33)12-28-21(34)18-13-32(30-29-18)15-2-1-7-27-11-15/h1-4,7,10-11,13,16H,5-6,8-9,12H2,(H,28,34).
What are the key properties of N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide?
N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 492.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 142705632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).