3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

C24H31N3O3 — CID 91912868

IUPAC3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C24H31N3O3/c28-21(9-8-17-16-25-20-7-3-2-6-19(17)20)26-14-10-18(11-15-26)27-23(30)22(29)24(27)12-4-1-5-13-24/h2-3,6-7,16,18,22,25,29H,1,4-5,8-15H2
InChIKeyXHAWNYPJJGVKMU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.00
Rot. Bonds4

About 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912868) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
PubChem CID91912868
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C24H31N3O3/c28-21(9-8-17-16-25-20-7-3-2-6-19(17)20)26-14-10-18(11-15-26)27-23(30)22(29)24(27)12-4-1-5-13-24/h2-3,6-7,16,18,22,25,29H,1,4-5,8-15H2
InChIKeyXHAWNYPJJGVKMU-UHFFFAOYSA-N
XLogP3.00
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
(4S)-8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97190781
8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72856512
(1R,2R,9R)-11-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195187
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (CID 91912868) is 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is O=C(CCc1c[nH]c2ccccc12)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The InChIKey is XHAWNYPJJGVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-21(9-8-17-16-25-20-7-3-2-6-19(17)20)26-14-10-18(11-15-26)27-23(30)22(29)24(27)12-4-1-5-13-24/h2-3,6-7,16,18,22,25,29H,1,4-5,8-15H2.
What are the key properties of 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one has a molecular weight of 409.53 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).