2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one

C19H23N3O2 — CID 42823504

IUPAC2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1C(Cc2ccccc2)NC2(CCNCC2)N1Cc1ccco1
InChIInChI=1S/C19H23N3O2/c23-18-17(13-15-5-2-1-3-6-15)21-19(8-10-20-11-9-19)22(18)14-16-7-4-12-24-16/h1-7,12,17,20-21H,8-11,13-14H2
InChIKeySXDSZJJSNDXOHS-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.90
Rot. Bonds4

About 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one

2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42823504) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42823504
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1C(Cc2ccccc2)NC2(CCNCC2)N1Cc1ccco1
InChIInChI=1S/C19H23N3O2/c23-18-17(13-15-5-2-1-3-6-15)21-19(8-10-20-11-9-19)22(18)14-16-7-4-12-24-16/h1-7,12,17,20-21H,8-11,13-14H2
InChIKeySXDSZJJSNDXOHS-UHFFFAOYSA-N
XLogP1.90
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
2,4-dibenzyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioic S-acid
CID 87595185
(2S)-2,4-dibenzyl-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one;(2S)-2,4-dibenzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 161391128
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
3,5-dibenzyl-2,2-dimethylimidazolidin-4-one
CID 69255258
2,4-dibenzyl-8-thiophen-2-ylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 11591125
2,4-dibenzyl-8-(4-ethylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 11577002
2-(2-benzyl-8-benzylsulfonyl-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl)acetic acid
CID 68889046
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
3-benzyl-1-(furan-2-ylmethyl)piperazine
CID 64924799

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one (CID 42823504) is 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one is O=C1C(Cc2ccccc2)NC2(CCNCC2)N1Cc1ccco1.
What is the InChIKey of 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is SXDSZJJSNDXOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-17(13-15-5-2-1-3-6-15)21-19(8-10-20-11-9-19)22(18)14-16-7-4-12-24-16/h1-7,12,17,20-21H,8-11,13-14H2.
What are the key properties of 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 325.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42823504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).