N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H21F3N6O — CID 24791512

IUPACN-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)17-6-1-4-15(10-17)12-29-9-3-5-16(13-29)20(31)26-18-7-2-8-19(11-18)30-14-25-27-28-30/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2,(H,26,31)
InChIKeyFYILZDVLNOHWES-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.53
Rot. Bonds5

About N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24791512) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24791512
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)17-6-1-4-15(10-17)12-29-9-3-5-16(13-29)20(31)26-18-7-2-8-19(11-18)30-14-25-27-28-30/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2,(H,26,31)
InChIKeyFYILZDVLNOHWES-UHFFFAOYSA-N
XLogP3.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-3-carboxylic acid cyclohexylamide
CID 656118
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 8753002
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-fluoro-phenyl)-amide
CID 645270
N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 648479
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439261
2-(4-fluorophenyl)-N-[2-methyl-3-(1H-tetrazol-1-yl)phenyl]acetamide
CID 50820832
N-benzyl-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
CID 53546609
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide
CID 84593882
1-[(E)-3-phenylprop-2-enoyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 8006082
N-[2-methyl-3-(1H-tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 16371191

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24791512) is N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is FYILZDVLNOHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)17-6-1-4-15(10-17)12-29-9-3-5-16(13-29)20(31)26-18-7-2-8-19(11-18)30-14-25-27-28-30/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2,(H,26,31).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).