1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide

C19H28N6O — CID 3209665

IUPAC1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-14(2)12-17(24-10-8-16(9-11-24)18(20)26)19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
InChIKeyHZJXQLCZOVYAIR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.01
Rot. Bonds7

About 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide

1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 3209665) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
PubChem CID3209665
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-14(2)12-17(24-10-8-16(9-11-24)18(20)26)19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
InChIKeyHZJXQLCZOVYAIR-UHFFFAOYSA-N
XLogP2.01
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.01
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-(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)-phenyl-methyl]-4-methyl-piperazine
CID 3201696
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-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6602589
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-methyl-piperidine
CID 6603424
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-methyl-piperazine
CID 6603646

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide (CID 3209665) is 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide is CC(C)CC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is HZJXQLCZOVYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)12-17(24-10-8-16(9-11-24)18(20)26)19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26).
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 3209665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).