7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

C21H26N6O2 — CID 72919228

IUPAC7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C21H26N6O2/c28-19(18-6-4-17(5-7-18)13-27-15-22-23-24-27)26-11-9-21(14-26)8-1-10-25(20(21)29)12-16-2-3-16/h4-7,15-16H,1-3,8-14H2
InChIKeyMTFDIPRIKJIKMF-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.59
Rot. Bonds5

About 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72919228) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72919228
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C21H26N6O2/c28-19(18-6-4-17(5-7-18)13-27-15-22-23-24-27)26-11-9-21(14-26)8-1-10-25(20(21)29)12-16-2-3-16/h4-7,15-16H,1-3,8-14H2
InChIKeyMTFDIPRIKJIKMF-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5S)-2-(5-chlorofuran-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97133928
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5S)-2-(1,3-benzodioxole-5-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113655
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 74243754
2-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685
(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424492

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72919228) is 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MTFDIPRIKJIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-19(18-6-4-17(5-7-18)13-27-15-22-23-24-27)26-11-9-21(14-26)8-1-10-25(20(21)29)12-16-2-3-16/h4-7,15-16H,1-3,8-14H2.
What are the key properties of 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 394.48 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72919228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).