9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H29N3O2 — CID 20537367

IUPAC9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O
InChIInChI=1S/C21H29N3O2/c1-2-10-24-16-21(26-15-20(24)25)8-12-23(13-9-21)11-7-17-14-22-19-6-4-3-5-18(17)19/h3-6,14,22H,2,7-13,15-16H2,1H3
InChIKeySWUIOIMFTISPRN-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.81
Rot. Bonds5

About 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20537367) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20537367
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O
InChIInChI=1S/C21H29N3O2/c1-2-10-24-16-21(26-15-20(24)25)8-12-23(13-9-21)11-7-17-14-22-19-6-4-3-5-18(17)19/h3-6,14,22H,2,7-13,15-16H2,1H3
InChIKeySWUIOIMFTISPRN-UHFFFAOYSA-N
XLogP2.81
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20537367) is 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O.
What is the InChIKey of 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SWUIOIMFTISPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-10-24-16-21(26-15-20(24)25)8-12-23(13-9-21)11-7-17-14-22-19-6-4-3-5-18(17)19/h3-6,14,22H,2,7-13,15-16H2,1H3.
What are the key properties of 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1H-indol-3-yl)ethyl]-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).