(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C19H23N3O3 — CID 164695097

IUPAC(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCn1ccc2c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cccc21
InChIInChI=1S/C19H23N3O3/c1-21-10-6-13-14(4-2-5-15(13)21)17(24)22-11-7-16(23)19(12-22)8-3-9-20-18(19)25/h2,4-6,10,16,23H,3,7-9,11-12H2,1H3,(H,20,25)/t16-,19-/m1/s1
InChIKeyWBNNJXYLESFMSG-VQIMIIECSA-N
MW341.41 g/mol
LogP1.28
Rot. Bonds1

About (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164695097) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164695097
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCn1ccc2c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cccc21
InChIInChI=1S/C19H23N3O3/c1-21-10-6-13-14(4-2-5-15(13)21)17(24)22-11-7-16(23)19(12-22)8-3-9-20-18(19)25/h2,4-6,10,16,23H,3,7-9,11-12H2,1H3,(H,20,25)/t16-,19-/m1/s1
InChIKeyWBNNJXYLESFMSG-VQIMIIECSA-N
XLogP1.28
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700515
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164689523
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349
(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164696833
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164695097) is (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is Cn1ccc2c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cccc21.
What is the InChIKey of (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is WBNNJXYLESFMSG-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-10-6-13-14(4-2-5-15(13)21)17(24)22-11-7-16(23)19(12-22)8-3-9-20-18(19)25/h2,4-6,10,16,23H,3,7-9,11-12H2,1H3,(H,20,25)/t16-,19-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164695097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).