1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone

C16H22N6O — CID 32977217

IUPAC1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H22N6O/c1-12-6-3-4-9-22(12)15(23)11-17-14-8-5-7-13(10-14)16-18-19-20-21(16)2/h5,7-8,10,12,17H,3-4,6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyOMHURXOODKZHDJ-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.69
Rot. Bonds4

About 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone

1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone (PubChem CID 32977217) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
PubChem CID32977217
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H22N6O/c1-12-6-3-4-9-22(12)15(23)11-17-14-8-5-7-13(10-14)16-18-19-20-21(16)2/h5,7-8,10,12,17H,3-4,6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyOMHURXOODKZHDJ-GFCCVEGCSA-N
XLogP1.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 51960803
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687133
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 94171709

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone?
The IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone (CID 32977217) is 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone?
The canonical SMILES for 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone is C[C@@H]1CCCCN1C(=O)CNc1cccc(-c2nnnn2C)c1.
What is the InChIKey of 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone?
The InChIKey is OMHURXOODKZHDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-6-3-4-9-22(12)15(23)11-17-14-8-5-7-13(10-14)16-18-19-20-21(16)2/h5,7-8,10,12,17H,3-4,6,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone?
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone is sourced from PubChem (CID 32977217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).