1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one

C19H24N2O3 — CID 3242843

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-14-15(16-4-2-3-5-17(16)20)6-7-18(22)21-10-8-19(9-11-21)23-12-13-24-19/h2-5,14H,6-13H2,1H3
InChIKeyPOVSTSAHDSXLQF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.48
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (PubChem CID 3242843) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
PubChem CID3242843
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-14-15(16-4-2-3-5-17(16)20)6-7-18(22)21-10-8-19(9-11-21)23-12-13-24-19/h2-5,14H,6-13H2,1H3
InChIKeyPOVSTSAHDSXLQF-UHFFFAOYSA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (CID 3242843) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one is Cn1cc(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The InChIKey is POVSTSAHDSXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-14-15(16-4-2-3-5-17(16)20)6-7-18(22)21-10-8-19(9-11-21)23-12-13-24-19/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 3242843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).