(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C23H28N2O2 — CID 95872077

IUPAC(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(Cc3ccc(O)cc3)C2)CN1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-21-9-7-20(8-10-21)15-24-14-4-12-23(17-24)13-11-22(27)25(18-23)16-19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-18H2/t23-/m0/s1
InChIKeySLNHHIZQHVUAOR-QHCPKHFHSA-N
MW364.49 g/mol
LogP3.80
Rot. Bonds4

About (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95872077) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95872077
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(Cc3ccc(O)cc3)C2)CN1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-21-9-7-20(8-10-21)15-24-14-4-12-23(17-24)13-11-22(27)25(18-23)16-19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-18H2/t23-/m0/s1
InChIKeySLNHHIZQHVUAOR-QHCPKHFHSA-N
XLogP3.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896628
2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580176
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737

Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95872077) is (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(Cc3ccc(O)cc3)C2)CN1Cc1ccccc1.
What is the InChIKey of (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SLNHHIZQHVUAOR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-21-9-7-20(8-10-21)15-24-14-4-12-23(17-24)13-11-22(27)25(18-23)16-19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-18H2/t23-/m0/s1.
What are the key properties of (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95872077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).