4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one

C14H18N4O — CID 79960832

IUPAC4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N4O/c15-12-14(17-13(19)16-12)7-4-8-18(10-14)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H3,15,16,17,19)
InChIKeyQKIZXEUDGWAOLX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds2

About 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one

4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960832) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
PubChem CID79960832
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N4O/c15-12-14(17-13(19)16-12)7-4-8-18(10-14)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H3,15,16,17,19)
InChIKeyQKIZXEUDGWAOLX-UHFFFAOYSA-N
XLogP1.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-benzyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 47090391
4-amino-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
CID 79959427
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide
CID 90728701
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779

Frequently Asked Questions

What is the IUPAC name of 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one (CID 79960832) is 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)NC12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is QKIZXEUDGWAOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12-14(17-13(19)16-12)7-4-8-18(10-14)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H3,15,16,17,19).
What are the key properties of 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one?
4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).