7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H26N6O3 — CID 175642547

IUPAC7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H26N6O3/c27-18(15-1-2-16-17(13-15)22-23-21-16)26-6-4-20(14-26)3-5-25(19(20)28)8-7-24-9-11-29-12-10-24/h1-2,13H,3-12,14H2,(H,21,22,23)
InChIKeyYOUUWJALXCEOKZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.35
Rot. Bonds4

About 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642547) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175642547
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H26N6O3/c27-18(15-1-2-16-17(13-15)22-23-21-16)26-6-4-20(14-26)3-5-25(19(20)28)8-7-24-9-11-29-12-10-24/h1-2,13H,3-12,14H2,(H,21,22,23)
InChIKeyYOUUWJALXCEOKZ-UHFFFAOYSA-N
XLogP0.35
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642802
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646163
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97149053
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643514
2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 125008475
2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640827
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175644031
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
2H-benzotriazol-5-yl-[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 124985934
(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124790
2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643087

Frequently Asked Questions

What is the IUPAC name of 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175642547) is 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccc2n[nH]nc2c1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1.
What is the InChIKey of 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YOUUWJALXCEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c27-18(15-1-2-16-17(13-15)22-23-21-16)26-6-4-20(14-26)3-5-25(19(20)28)8-7-24-9-11-29-12-10-24/h1-2,13H,3-12,14H2,(H,21,22,23).
What are the key properties of 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 398.47 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).