1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H19F3N6O — CID 43815682

IUPAC1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-5-4-6-16(13-15)24-18(30)14-9-11-28(12-10-14)19-25-26-27-29(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,30)
InChIKeyPSHNGHNMWJKURE-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.54
Rot. Bonds4

About 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 43815682) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID43815682
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-5-4-6-16(13-15)24-18(30)14-9-11-28(12-10-14)19-25-26-27-29(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,30)
InChIKeyPSHNGHNMWJKURE-UHFFFAOYSA-N
XLogP3.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
CID 43815690
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-3-carboxylic acid cyclohexylamide
CID 656118
3-(3,4-Difluorophenyl)-2-acetamido-N-[1-(1-phenyl-1,2,3,4-tetrazol-5-YL)piperidin-4-YL]propanamide
CID 3231809
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278153
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-(1-Phenyl-1,2,3,4-tetrazol-5-YL)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2419803
1-(1-Phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 2527325

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 43815682) is 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PSHNGHNMWJKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)15-5-4-6-16(13-15)24-18(30)14-9-11-28(12-10-14)19-25-26-27-29(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,24,30).
What are the key properties of 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).