(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 96579498

IUPAC(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CN1CCCO
InChIInChI=1S/C19H26N2O4/c22-12-2-11-20-13-19(9-7-17(20)24)8-1-10-21(14-19)18(25)15-3-5-16(23)6-4-15/h3-6,22-23H,1-2,7-14H2/t19-/m1/s1
InChIKeyFRZZYAAHVKXTTL-LJQANCHMSA-N
MW346.43 g/mol
LogP1.62
Rot. Bonds4

About (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579498) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579498
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CN1CCCO
InChIInChI=1S/C19H26N2O4/c22-12-2-11-20-13-19(9-7-17(20)24)8-1-10-21(14-19)18(25)15-3-5-16(23)6-4-15/h3-6,22-23H,1-2,7-14H2/t19-/m1/s1
InChIKeyFRZZYAAHVKXTTL-LJQANCHMSA-N
XLogP1.62
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574143
8-[4-(hydroxymethyl)benzoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70720356
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
(6S)-2-(3-hydroxypropyl)-8-(2-indazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571224
8-(4-fluorobenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72847294
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
2-(2-hydroxyethyl)-8-[2-[4-(hydroxymethyl)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70756626
8-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72849066
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
2-(2-hydroxyethyl)-8-(1H-1,2,4-triazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72895472
2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70732443

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96579498) is (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CN1CCCO.
What is the InChIKey of (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FRZZYAAHVKXTTL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-12-2-11-20-13-19(9-7-17(20)24)8-1-10-21(14-19)18(25)15-3-5-16(23)6-4-15/h3-6,22-23H,1-2,7-14H2/t19-/m1/s1.
What are the key properties of (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 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 (6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).