1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide

C23H21F4N5O3 — CID 142705657

IUPAC1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C23H21F4N5O3/c24-16-2-1-3-17(12-16)32-14-20(29-30-32)22(34)28-13-21(33)31-10-8-19(9-11-31)35-18-6-4-15(5-7-18)23(25,26)27/h1-7,12,14,19H,8-11,13H2,(H,28,34)
InChIKeyNZWTUSVZDGZVEE-UHFFFAOYSA-N
MW491.45 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide

1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide (PubChem CID 142705657) has the molecular formula C23H21F4N5O3 and a molecular weight of 491.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
PubChem CID142705657
Molecular FormulaC23H21F4N5O3
Molecular Weight491.45 g/mol
Exact Mass491.16
IUPAC Name1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C23H21F4N5O3/c24-16-2-1-3-17(12-16)32-14-20(29-30-32)22(34)28-13-21(33)31-10-8-19(9-11-31)35-18-6-4-15(5-7-18)23(25,26)27/h1-7,12,14,19H,8-11,13H2,(H,28,34)
InChIKeyNZWTUSVZDGZVEE-UHFFFAOYSA-N
XLogP3.22
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[2-fluoro-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]-1-pyridin-3-yltriazole-4-carboxamide
CID 142705632
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
CID 142705693
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
3-(3-hydroxyphenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 142705686
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
N-[(2R)-butan-2-yl]-1-(3-fluorophenyl)triazole-4-carboxamide
CID 95086934
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 91184923
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide (CID 142705657) is 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide is O=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cn(-c2cccc(F)c2)nn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide?
The InChIKey is NZWTUSVZDGZVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N5O3/c24-16-2-1-3-17(12-16)32-14-20(29-30-32)22(34)28-13-21(33)31-10-8-19(9-11-31)35-18-6-4-15(5-7-18)23(25,26)27/h1-7,12,14,19H,8-11,13H2,(H,28,34).
What are the key properties of 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide?
1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide has a molecular weight of 491.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 142705657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).