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

C15H19N5O2 — CID 17461140

IUPAC1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1CCCN(C(=O)COc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H19N5O2/c1-12-4-3-7-19(9-12)15(21)10-22-14-6-2-5-13(8-14)20-11-16-17-18-20/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3
InChIKeyHVDDOWVPKLPSNJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.30
Rot. Bonds4

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

1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 17461140) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID17461140
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1CCCN(C(=O)COc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H19N5O2/c1-12-4-3-7-19(9-12)15(21)10-22-14-6-2-5-13(8-14)20-11-16-17-18-20/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3
InChIKeyHVDDOWVPKLPSNJ-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-(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
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
1-[4-(2-methylsulfanylethyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118767728
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
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
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17463367

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 17461140) is 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is CC1CCCN(C(=O)COc2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is HVDDOWVPKLPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-12-4-3-7-19(9-12)15(21)10-22-14-6-2-5-13(8-14)20-11-16-17-18-20/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-(3-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-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 17461140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).