2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide

C17H25N3O2 — CID 139371259

IUPAC2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
SMILESCC(O)C(C(N)=O)N1CC2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-13(21)15(16(18)22)19-11-17(12-19)8-5-9-20(17)10-14-6-3-2-4-7-14/h2-4,6-7,13,15,21H,5,8-12H2,1H3,(H2,18,22)
InChIKeyBKGMMABZWHSDQB-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.57
Rot. Bonds5

About 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide

2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide (PubChem CID 139371259) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide.

Molecular Properties

Compound Name2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
PubChem CID139371259
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
SMILESCC(O)C(C(N)=O)N1CC2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-13(21)15(16(18)22)19-11-17(12-19)8-5-9-20(17)10-14-6-3-2-4-7-14/h2-4,6-7,13,15,21H,5,8-12H2,1H3,(H2,18,22)
InChIKeyBKGMMABZWHSDQB-UHFFFAOYSA-N
XLogP0.57
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 134243988
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
4-amino-1-(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597300

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide?
The IUPAC name of 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide (CID 139371259) is 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide.
What is the SMILES notation for 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide?
The canonical SMILES for 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide is CC(O)C(C(N)=O)N1CC2(CCCN2Cc2ccccc2)C1.
What is the InChIKey of 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide?
The InChIKey is BKGMMABZWHSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)15(16(18)22)19-11-17(12-19)8-5-9-20(17)10-14-6-3-2-4-7-14/h2-4,6-7,13,15,21H,5,8-12H2,1H3,(H2,18,22).
What are the key properties of 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide?
2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide has a molecular weight of 303.41 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide is sourced from PubChem (CID 139371259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).