[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C21H30N6O — CID 95728447

IUPAC[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC(C)(C)CN1CCC[C@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1
InChIInChI=1S/C21H30N6O/c1-20(2,3)13-26-11-6-9-21(14-26)10-12-27(15-21)19(28)17-8-5-4-7-16(17)18-22-24-25-23-18/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,23,24,25)/t21-/m0/s1
InChIKeyKIZOUUJZHHAUED-NRFANRHFSA-N
MW382.51 g/mol
LogP2.84
Rot. Bonds3

About [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 95728447) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID95728447
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC(C)(C)CN1CCC[C@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1
InChIInChI=1S/C21H30N6O/c1-20(2,3)13-26-11-6-9-21(14-26)10-12-27(15-21)19(28)17-8-5-4-7-16(17)18-22-24-25-23-18/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,23,24,25)/t21-/m0/s1
InChIKeyKIZOUUJZHHAUED-NRFANRHFSA-N
XLogP2.84
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 45229581
3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45180938
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 164695077
(1R,5S)-6-propyl-3-[2-(2H-tetrazol-5-yl)benzoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133126072
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 56892672
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 154569622
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 95729983
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 95728447) is [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is CC(C)(C)CN1CCC[C@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1.
What is the InChIKey of [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is KIZOUUJZHHAUED-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N6O/c1-20(2,3)13-26-11-6-9-21(14-26)10-12-27(15-21)19(28)17-8-5-4-7-16(17)18-22-24-25-23-18/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,23,24,25)/t21-/m0/s1.
What are the key properties of [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 382.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 95728447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).