4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one

C20H25N7O2 — CID 166312596

IUPAC4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCC2(CC1)CCN2C(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C20H25N7O2/c1-25-9-6-20(7-10-25)8-11-27(20)19(29)15-12-17(28)26(13-15)16-4-2-14(3-5-16)18-21-23-24-22-18/h2-5,15H,6-13H2,1H3,(H,21,22,23,24)
InChIKeyQGSDSOAQGGJJJN-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.92
Rot. Bonds3

About 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one

4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 166312596) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
PubChem CID166312596
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCC2(CC1)CCN2C(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C20H25N7O2/c1-25-9-6-20(7-10-25)8-11-27(20)19(29)15-12-17(28)26(13-15)16-4-2-14(3-5-16)18-21-23-24-22-18/h2-5,15H,6-13H2,1H3,(H,21,22,23,24)
InChIKeyQGSDSOAQGGJJJN-UHFFFAOYSA-N
XLogP0.92
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate
CID 168694718
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697831
1-(4-methoxyphenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122343462
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 90585410
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 126824824
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
4-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 121059780

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one (CID 166312596) is 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one is CN1CCC2(CC1)CCN2C(=O)C1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is QGSDSOAQGGJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-9-6-20(7-10-25)8-11-27(20)19(29)15-12-17(28)26(13-15)16-4-2-14(3-5-16)18-21-23-24-22-18/h2-5,15H,6-13H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one?
4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 395.47 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166312596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).