1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

C19H27FN6O — CID 646900

IUPAC1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyGJDJTGRUUFVDLF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.14
Rot. Bonds7

About 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 646900) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID646900
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyGJDJTGRUUFVDLF-UHFFFAOYSA-N
XLogP2.14
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-[(4-Fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 16192879
1-{[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
N-[1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 654768
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazine
CID 655799
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclohexylpiperazine
CID 3209694
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentylpiperazine
CID 3209702
1-Allyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602544
1-Methyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6602545
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6602546

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 646900) is 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is GJDJTGRUUFVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27).
What are the key properties of 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 646900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).