3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one

C13H17N3O — CID 83894911

IUPAC3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCNC2)CN1Cc1ccccc1
InChIInChI=1S/C13H17N3O/c17-12-15-13(6-7-14-9-13)10-16(12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
InChIKeyFVFWFGWBOFTFMT-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.94
Rot. Bonds2

About 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one

3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 83894911) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID83894911
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCNC2)CN1Cc1ccccc1
InChIInChI=1S/C13H17N3O/c17-12-15-13(6-7-14-9-13)10-16(12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
InChIKeyFVFWFGWBOFTFMT-UHFFFAOYSA-N
XLogP0.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098641
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
CID 83515174
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547
3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 156757577
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one (CID 83894911) is 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one is O=C1NC2(CCNC2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is FVFWFGWBOFTFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-15-13(6-7-14-9-13)10-16(12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17).
What are the key properties of 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one?
3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83894911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).