4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

C15H20N6O2 — CID 120617842

IUPAC4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCNCC1
InChIInChI=1S/C15H20N6O2/c1-23-10-15(5-7-16-8-6-15)14(22)18-12-3-2-4-13(9-12)21-11-17-19-20-21/h2-4,9,11,16H,5-8,10H2,1H3,(H,18,22)
InChIKeyJMZZVKGADLJNSM-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.62
Rot. Bonds5

About 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 120617842) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID120617842
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCNCC1
InChIInChI=1S/C15H20N6O2/c1-23-10-15(5-7-16-8-6-15)14(22)18-12-3-2-4-13(9-12)21-11-17-19-20-21/h2-4,9,11,16H,5-8,10H2,1H3,(H,18,22)
InChIKeyJMZZVKGADLJNSM-UHFFFAOYSA-N
XLogP0.62
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119943848
4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide
CID 120623365
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619470
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 120617842) is 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is JMZZVKGADLJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-23-10-15(5-7-16-8-6-15)14(22)18-12-3-2-4-13(9-12)21-11-17-19-20-21/h2-4,9,11,16H,5-8,10H2,1H3,(H,18,22).
What are the key properties of 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120617842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).