N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide

C12H22N6O — CID 94116447

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H22N6O/c1-10-5-11(2)7-17(6-10)4-3-13-12(19)8-18-9-14-15-16-18/h9-11H,3-8H2,1-2H3,(H,13,19)/t10-,11-/m1/s1
InChIKeyNKRIDUJYSXDZKK-GHMZBOCLSA-N
MW266.35 g/mol
LogP-0.23
Rot. Bonds5

About N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 94116447) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID94116447
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H22N6O/c1-10-5-11(2)7-17(6-10)4-3-13-12(19)8-18-9-14-15-16-18/h9-11H,3-8H2,1-2H3,(H,13,19)/t10-,11-/m1/s1
InChIKeyNKRIDUJYSXDZKK-GHMZBOCLSA-N
XLogP-0.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
CID 94116441
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51725576
N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 104954996
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71941249
N-(4-methylpyrrolidin-3-yl)-2-(tetrazol-1-yl)acetamide
CID 104826317
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 121121293
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
CID 60559251
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide (CID 94116447) is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide is C[C@@H]1C[C@@H](C)CN(CCNC(=O)Cn2cnnn2)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is NKRIDUJYSXDZKK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N6O/c1-10-5-11(2)7-17(6-10)4-3-13-12(19)8-18-9-14-15-16-18/h9-11H,3-8H2,1-2H3,(H,13,19)/t10-,11-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 266.35 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 94116447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).