2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C18H26N6O — CID 860877

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C18H26N6O/c1-13-6-5-7-14(2)24(13)17(25)12-23-20-18(19-21-23)15-8-10-16(11-9-15)22(3)4/h8-11,13-14H,5-7,12H2,1-4H3/t13-,14-/m1/s1
InChIKeyYEKHQMJWVSDRAQ-ZIAGYGMSSA-N
MW342.45 g/mol
LogP2.20
Rot. Bonds4

About 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 860877) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID860877
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C18H26N6O/c1-13-6-5-7-14(2)24(13)17(25)12-23-20-18(19-21-23)15-8-10-16(11-9-15)22(3)4/h8-11,13-14H,5-7,12H2,1-4H3/t13-,14-/m1/s1
InChIKeyYEKHQMJWVSDRAQ-ZIAGYGMSSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 860876
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7467499
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]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7350531
cyclohexyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860893
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
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-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 860877) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is YEKHQMJWVSDRAQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-6-5-7-14(2)24(13)17(25)12-23-20-18(19-21-23)15-8-10-16(11-9-15)22(3)4/h8-11,13-14H,5-7,12H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 342.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 860877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).