1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone

C15H19N5O2 — CID 7769219

IUPAC1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C15H19N5O2/c1-12-5-7-19(8-6-12)15(21)10-22-14-4-2-3-13(9-14)20-11-16-17-18-20/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyMPYRZBVSRLWVIJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone

1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 7769219) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID7769219
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C15H19N5O2/c1-12-5-7-19(8-6-12)15(21)10-22-14-4-2-3-13(9-14)20-11-16-17-18-20/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyMPYRZBVSRLWVIJ-UHFFFAOYSA-N
XLogP1.30
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
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
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 72907199
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 41048112
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 7769219) is 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is CC1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is MPYRZBVSRLWVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-12-5-7-19(8-6-12)15(21)10-22-14-4-2-3-13(9-14)20-11-16-17-18-20/h2-4,9,11-12H,5-8,10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 7769219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).