[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone

C14H19N7O2 — CID 126448107

IUPAC[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone
SMILESO=C([C@@H]1CCCCn2nnnc21)N1CCC(c2ncon2)CC1
InChIInChI=1S/C14H19N7O2/c22-14(11-3-1-2-6-21-13(11)16-18-19-21)20-7-4-10(5-8-20)12-15-9-23-17-12/h9-11H,1-8H2/t11-/m1/s1
InChIKeyCSZQLVAARDZUEN-LLVKDONJSA-N
MW317.35 g/mol
LogP0.73
Rot. Bonds2

About [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone

[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone (PubChem CID 126448107) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone.

Molecular Properties

Compound Name[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone
PubChem CID126448107
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone
SMILESO=C([C@@H]1CCCCn2nnnc21)N1CCC(c2ncon2)CC1
InChIInChI=1S/C14H19N7O2/c22-14(11-3-1-2-6-21-13(11)16-18-19-21)20-7-4-10(5-8-20)12-15-9-23-17-12/h9-11H,1-8H2/t11-/m1/s1
InChIKeyCSZQLVAARDZUEN-LLVKDONJSA-N
XLogP0.73
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279754
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279755
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 126430247
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl)methanone
CID 74236163
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 118767734
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone?
The IUPAC name of [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone (CID 126448107) is [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone.
What is the SMILES notation for [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone?
The canonical SMILES for [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone is O=C([C@@H]1CCCCn2nnnc21)N1CCC(c2ncon2)CC1.
What is the InChIKey of [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone?
The InChIKey is CSZQLVAARDZUEN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N7O2/c22-14(11-3-1-2-6-21-13(11)16-18-19-21)20-7-4-10(5-8-20)12-15-9-23-17-12/h9-11H,1-8H2/t11-/m1/s1.
What are the key properties of [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone?
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone is sourced from PubChem (CID 126448107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).