(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

C19H23N3O3 — CID 163314517

IUPAC(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H23N3O3/c23-16-6-9-22(12-19(16)7-3-8-20-18(19)25)17(24)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11,16,21,23H,3,6-10,12H2,(H,20,25)/t16-,19-/m1/s1
InChIKeyKPFNZRGTZOFJTB-VQIMIIECSA-N
MW341.41 g/mol
LogP1.20
Rot. Bonds2

About (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163314517) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163314517
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H23N3O3/c23-16-6-9-22(12-19(16)7-3-8-20-18(19)25)17(24)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11,16,21,23H,3,6-10,12H2,(H,20,25)/t16-,19-/m1/s1
InChIKeyKPFNZRGTZOFJTB-VQIMIIECSA-N
XLogP1.20
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,11S)-11-hydroxy-8-[2-(2-phenylmethoxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165419324
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CID 164689776
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
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1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
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2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110637911
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 163314517) is (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is KPFNZRGTZOFJTB-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-16-6-9-22(12-19(16)7-3-8-20-18(19)25)17(24)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11,16,21,23H,3,6-10,12H2,(H,20,25)/t16-,19-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163314517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).