2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C16H20ClN5O — CID 7350531

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O/c1-11-6-5-7-12(2)22(11)15(23)10-21-19-16(18-20-21)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyCWGJFRPTGWIQRR-VXGBXAGGSA-N
MW333.82 g/mol
LogP2.78
Rot. Bonds3

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 7350531) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID7350531
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O/c1-11-6-5-7-12(2)22(11)15(23)10-21-19-16(18-20-21)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyCWGJFRPTGWIQRR-VXGBXAGGSA-N
XLogP2.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 860876
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 860877
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7467499
2-[2-[2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8520049
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone
CID 1136535
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 7350531) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is CWGJFRPTGWIQRR-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11-6-5-7-12(2)22(11)15(23)10-21-19-16(18-20-21)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 333.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 7350531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).