1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

C18H26N6O — CID 651035

IUPAC1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-13(2)16(23-10-8-15(9-11-23)17(19)25)18-20-21-22-24(18)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H2,19,25)
InChIKeyJILSNLMJGBOHKY-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.62
Rot. Bonds6

About 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 651035) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID651035
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-13(2)16(23-10-8-15(9-11-23)17(19)25)18-20-21-22-24(18)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H2,19,25)
InChIKeyJILSNLMJGBOHKY-UHFFFAOYSA-N
XLogP1.62
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.62
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-Methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 648991
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
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazine
CID 9549374

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (CID 651035) is 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide is CC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is JILSNLMJGBOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)16(23-10-8-15(9-11-23)17(19)25)18-20-21-22-24(18)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H2,19,25).
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.62, 6 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)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 651035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).