1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one

C15H19N5O2 — CID 9379927

IUPAC1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
SMILESC[C@@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1
InChIInChI=1S/C15H19N5O2/c1-12-6-5-9-18(10-12)14(21)11-19-15(22)20(17-16-19)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyBKFJARWFXYXXCU-GFCCVEGCSA-N
MW301.35 g/mol
LogP0.69
Rot. Bonds3

About 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one

1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one (PubChem CID 9379927) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
PubChem CID9379927
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
SMILESC[C@@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1
InChIInChI=1S/C15H19N5O2/c1-12-6-5-9-18(10-12)14(21)11-19-15(22)20(17-16-19)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyBKFJARWFXYXXCU-GFCCVEGCSA-N
XLogP0.69
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
5-(methoxymethyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 102643492
5-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95099046
1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
CID 17491197
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
1-[(3S)-3-methylpiperidin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 94015122
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
5-(2-aminoethyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103118736
2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 13101377
1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one
CID 95802681

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one (CID 9379927) is 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one is C[C@@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1.
What is the InChIKey of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one?
The InChIKey is BKFJARWFXYXXCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-12-6-5-9-18(10-12)14(21)11-19-15(22)20(17-16-19)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one?
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one has a molecular weight of 301.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 9379927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).