1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

C19H27FN6O — CID 646599

IUPAC1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-4-19(2,3)26-18(22-23-24-26)16(14-7-5-6-8-15(14)20)25-11-9-13(10-12-25)17(21)27/h5-8,13,16H,4,9-12H2,1-3H3,(H2,21,27)
InChIKeyRGZFSAORPGMRNU-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.24
Rot. Bonds6

About 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 646599) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID646599
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-4-19(2,3)26-18(22-23-24-26)16(14-7-5-6-8-15(14)20)25-11-9-13(10-12-25)17(21)27/h5-8,13,16H,4,9-12H2,1-3H3,(H2,21,27)
InChIKeyRGZFSAORPGMRNU-UHFFFAOYSA-N
XLogP2.24
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 650233
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-tert-Butyl-1H-tetrazol-5-yl)-(2-fluoro-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602646
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-methyl-piperidine
CID 6603424
CID 16192910
CID 16192910
1-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine
CID 3209775
1-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine
CID 3209786

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 646599) is 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is CCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is RGZFSAORPGMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-4-19(2,3)26-18(22-23-24-26)16(14-7-5-6-8-15(14)20)25-11-9-13(10-12-25)17(21)27/h5-8,13,16H,4,9-12H2,1-3H3,(H2,21,27).
What are the key properties of 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 646599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).