N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

C20H27F3N6O — CID 55856960

IUPACN-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N6O/c1-2-3-4-11-24-19(30)15-9-12-28(13-10-15)14-18-25-26-27-29(18)17-7-5-16(6-8-17)20(21,22)23/h5-8,15H,2-4,9-14H2,1H3,(H,24,30)
InChIKeyUFWWKCVODMUBNM-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.20
Rot. Bonds8

About N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 55856960) has the molecular formula C20H27F3N6O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID55856960
Molecular FormulaC20H27F3N6O
Molecular Weight424.47 g/mol
Exact Mass424.22
IUPAC NameN-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N6O/c1-2-3-4-11-24-19(30)15-9-12-28(13-10-15)14-18-25-26-27-29(18)17-7-5-16(6-8-17)20(21,22)23/h5-8,15H,2-4,9-14H2,1H3,(H,24,30)
InChIKeyUFWWKCVODMUBNM-UHFFFAOYSA-N
XLogP3.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903894
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
(3R)-3-methylsulfanyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]azepane
CID 97001223
4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 29340329
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 56599941
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 87021490
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 94391399
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 55856960) is N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is UFWWKCVODMUBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6O/c1-2-3-4-11-24-19(30)15-9-12-28(13-10-15)14-18-25-26-27-29(18)17-7-5-16(6-8-17)20(21,22)23/h5-8,15H,2-4,9-14H2,1H3,(H,24,30).
What are the key properties of N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55856960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).