(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C21H27N3O3 — CID 97132579

IUPAC(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C21H27N3O3/c25-13-12-23-10-3-8-21(20(23)27)9-11-24(15-21)19(26)7-6-16-14-22-18-5-2-1-4-17(16)18/h1-2,4-5,14,22,25H,3,6-13,15H2/t21-/m0/s1
InChIKeyPMDIEISULWMMTA-NRFANRHFSA-N
MW369.47 g/mol
LogP1.93
Rot. Bonds5

About (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97132579) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97132579
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C21H27N3O3/c25-13-12-23-10-3-8-21(20(23)27)9-11-24(15-21)19(26)7-6-16-14-22-18-5-2-1-4-17(16)18/h1-2,4-5,14,22,25H,3,6-13,15H2/t21-/m0/s1
InChIKeyPMDIEISULWMMTA-NRFANRHFSA-N
XLogP1.93
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97151866
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167897458
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97132579) is (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CCc1c[nH]c2ccccc12)N1CC[C@@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PMDIEISULWMMTA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-13-12-23-10-3-8-21(20(23)27)9-11-24(15-21)19(26)7-6-16-14-22-18-5-2-1-4-17(16)18/h1-2,4-5,14,22,25H,3,6-13,15H2/t21-/m0/s1.
What are the key properties of (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97132579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).