8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H28N2O2 — CID 70738812

IUPAC8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3ccccc3)C2)CN1CCCO
InChIInChI=1S/C19H28N2O2/c22-13-5-12-21-16-19(10-8-18(21)23)9-4-11-20(15-19)14-17-6-2-1-3-7-17/h1-3,6-7,22H,4-5,8-16H2
InChIKeyZVLVIDNJJRSVJX-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.27
Rot. Bonds5

About 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70738812) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70738812
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3ccccc3)C2)CN1CCCO
InChIInChI=1S/C19H28N2O2/c22-13-5-12-21-16-19(10-8-18(21)23)9-4-11-20(15-19)14-17-6-2-1-3-7-17/h1-3,6-7,22H,4-5,8-16H2
InChIKeyZVLVIDNJJRSVJX-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
(6S)-2-(3-hydroxypropyl)-8-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97041617
(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571260
8-[(5-ethylfuran-2-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70784758
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70741090
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70738812) is 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3ccccc3)C2)CN1CCCO.
What is the InChIKey of 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZVLVIDNJJRSVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-13-5-12-21-16-19(10-8-18(21)23)9-4-11-20(15-19)14-17-6-2-1-3-7-17/h1-3,6-7,22H,4-5,8-16H2.
What are the key properties of 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).