2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C21H31N3O2 — CID 70711310

IUPAC2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccccc2)CCC12CCN(CC1(O)CCCNC1)CC2
InChIInChI=1S/C21H31N3O2/c25-19-20(10-14-24(19)15-18-5-2-1-3-6-18)8-12-23(13-9-20)17-21(26)7-4-11-22-16-21/h1-3,5-6,22,26H,4,7-17H2
InChIKeyJHIUDUOAZSNLCW-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.62
Rot. Bonds4

About 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 70711310) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID70711310
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccccc2)CCC12CCN(CC1(O)CCCNC1)CC2
InChIInChI=1S/C21H31N3O2/c25-19-20(10-14-24(19)15-18-5-2-1-3-6-18)8-12-23(13-9-20)17-21(26)7-4-11-22-16-21/h1-3,5-6,22,26H,4,7-17H2
InChIKeyJHIUDUOAZSNLCW-UHFFFAOYSA-N
XLogP1.62
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074173
2-[(4-nitrophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074137
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
(3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylic acid
CID 118570434
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
1-benzyl-3-(hydroxymethyl)piperidin-3-ol;7-benzyl-1-oxa-7-azaspiro[2.5]octane;1-benzylpiperidin-3-one;3-(hydroxymethyl)piperidin-3-ol
CID 158546899
4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 70745675
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741619
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 70711310) is 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccccc2)CCC12CCN(CC1(O)CCCNC1)CC2.
What is the InChIKey of 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JHIUDUOAZSNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-19-20(10-14-24(19)15-18-5-2-1-3-6-18)8-12-23(13-9-20)17-21(26)7-4-11-22-16-21/h1-3,5-6,22,26H,4,7-17H2.
What are the key properties of 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 357.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 70711310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).