[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone

C21H26N2O3 — CID 91924984

IUPAC[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO
InChIInChI=1S/C21H26N2O3/c24-15-18-14-22(13-17-5-2-1-3-6-17)16-21(18)8-10-23(11-9-21)20(25)19-7-4-12-26-19/h1-7,12,18,24H,8-11,13-16H2
InChIKeyZDDIIJSZGNPGOS-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds4

About [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone

[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone (PubChem CID 91924984) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
PubChem CID91924984
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO
InChIInChI=1S/C21H26N2O3/c24-15-18-14-22(13-17-5-2-1-3-6-17)16-21(18)8-10-23(11-9-21)20(25)19-7-4-12-26-19/h1-7,12,18,24H,8-11,13-16H2
InChIKeyZDDIIJSZGNPGOS-UHFFFAOYSA-N
XLogP2.63
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 91922252
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 164638524
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
tert-butyl (5R)-7-benzyl-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 155903866
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
4-[[3-(furan-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 3233444
[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970640
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone (CID 91924984) is [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO.
What is the InChIKey of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone?
The InChIKey is ZDDIIJSZGNPGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-15-18-14-22(13-17-5-2-1-3-6-17)16-21(18)8-10-23(11-9-21)20(25)19-7-4-12-26-19/h1-7,12,18,24H,8-11,13-16H2.
What are the key properties of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone?
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 91924984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).