4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C21H18F3N5O — CID 11177431

IUPAC4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESN#CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C21H18F3N5O/c22-21(23,24)15-5-3-4-14(12-15)20(13-25)8-10-29(11-9-20)19(30)26-18-16-6-1-2-7-17(16)27-28-18/h1-7,12H,8-11H2,(H2,26,27,28,30)
InChIKeyWEVLGMFUSRLNOI-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.67
Rot. Bonds2

About 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11177431) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11177431
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC Name4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESN#CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C21H18F3N5O/c22-21(23,24)15-5-3-4-14(12-15)20(13-25)8-10-29(11-9-20)19(30)26-18-16-6-1-2-7-17(16)27-28-18/h1-7,12H,8-11H2,(H2,26,27,28,30)
InChIKeyWEVLGMFUSRLNOI-UHFFFAOYSA-N
XLogP4.67
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11177431) is 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is N#CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is WEVLGMFUSRLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c22-21(23,24)15-5-3-4-14(12-15)20(13-25)8-10-29(11-9-20)19(30)26-18-16-6-1-2-7-17(16)27-28-18/h1-7,12H,8-11H2,(H2,26,27,28,30).
What are the key properties of 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11177431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).