(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone

C17H22N6O2 — CID 138808160

IUPAC(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC12CCOCC2
InChIInChI=1S/C17H22N6O2/c1-21-8-9-22(12-17(21)6-10-25-11-7-17)16(24)14-2-4-15(5-3-14)23-13-18-19-20-23/h2-5,13H,6-12H2,1H3
InChIKeyBXQUDDYYILUILC-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.60
Rot. Bonds2

About (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 138808160) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID138808160
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC12CCOCC2
InChIInChI=1S/C17H22N6O2/c1-21-8-9-22(12-17(21)6-10-25-11-7-17)16(24)14-2-4-15(5-3-14)23-13-18-19-20-23/h2-5,13H,6-12H2,1H3
InChIKeyBXQUDDYYILUILC-UHFFFAOYSA-N
XLogP0.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]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

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone
CID 163311569
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 138807026
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
2-ethyl-1'-[4-(tetrazol-1-yl)benzoyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165426875

Frequently Asked Questions

What is the IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone (CID 138808160) is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone is CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC12CCOCC2.
What is the InChIKey of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is BXQUDDYYILUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21-8-9-22(12-17(21)6-10-25-11-7-17)16(24)14-2-4-15(5-3-14)23-13-18-19-20-23/h2-5,13H,6-12H2,1H3.
What are the key properties of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 138808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).