methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate

C16H19N5O4 — CID 7768488

IUPACmethyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C16H19N5O4/c1-24-16(23)12-5-7-20(8-6-12)15(22)10-25-14-4-2-3-13(9-14)21-11-17-18-19-21/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyJYSZKPSPFGNIML-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.45
Rot. Bonds5

About methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate

methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate (PubChem CID 7768488) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
PubChem CID7768488
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Namemethyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C16H19N5O4/c1-24-16(23)12-5-7-20(8-6-12)15(22)10-25-14-4-2-3-13(9-14)21-11-17-18-19-21/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyJYSZKPSPFGNIML-UHFFFAOYSA-N
XLogP0.45
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-[4-(2-methylsulfanylethyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118767728
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17463367
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
1-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 72907199
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
methyl 1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 84603993
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
methyl 1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 94870315

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate (CID 7768488) is methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is JYSZKPSPFGNIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-24-16(23)12-5-7-20(8-6-12)15(22)10-25-14-4-2-3-13(9-14)21-11-17-18-19-21/h2-4,9,11-12H,5-8,10H2,1H3.
What are the key properties of methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7768488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).