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

C19H23N3O4 — CID 164694211

IUPAC(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1cccc2[nH]c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc12
InChIInChI=1S/C19H23N3O4/c1-26-15-5-2-4-13-12(15)10-14(21-13)17(24)22-9-6-16(23)19(11-22)7-3-8-20-18(19)25/h2,4-5,10,16,21,23H,3,6-9,11H2,1H3,(H,20,25)/t16-,19-/m1/s1
InChIKeyCQBCGGCKGGPXCT-VQIMIIECSA-N
MW357.41 g/mol
LogP1.28
Rot. Bonds2

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

(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164694211) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164694211
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1cccc2[nH]c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc12
InChIInChI=1S/C19H23N3O4/c1-26-15-5-2-4-13-12(15)10-14(21-13)17(24)22-9-6-16(23)19(11-22)7-3-8-20-18(19)25/h2,4-5,10,16,21,23H,3,6-9,11H2,1H3,(H,20,25)/t16-,19-/m1/s1
InChIKeyCQBCGGCKGGPXCT-VQIMIIECSA-N
XLogP1.28
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
methyl (2S)-2-[[(2S,4S)-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 162479066
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 166745021
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164694211) is (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is COc1cccc2[nH]c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc12.
What is the InChIKey of (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is CQBCGGCKGGPXCT-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-15-5-2-4-13-12(15)10-14(21-13)17(24)22-9-6-16(23)19(11-22)7-3-8-20-18(19)25/h2,4-5,10,16,21,23H,3,6-9,11H2,1H3,(H,20,25)/t16-,19-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 357.41 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164694211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).