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

C25H27ClN2O3 — CID 42774836

IUPAC3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C25H27ClN2O3/c1-27-17-22(20-7-2-3-8-23(20)27)21(18-5-4-6-19(26)15-18)16-24(29)28-11-9-25(10-12-28)30-13-14-31-25/h2-8,15,17,21H,9-14,16H2,1H3
InChIKeyABMCYZZGERJYRR-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.72
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (PubChem CID 42774836) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
PubChem CID42774836
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C25H27ClN2O3/c1-27-17-22(20-7-2-3-8-23(20)27)21(18-5-4-6-19(26)15-18)16-24(29)28-11-9-25(10-12-28)30-13-14-31-25/h2-8,15,17,21H,9-14,16H2,1H3
InChIKeyABMCYZZGERJYRR-UHFFFAOYSA-N
XLogP4.72
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (CID 42774836) is 3-(3-chlorophenyl)-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 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one is Cn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
The InChIKey is ABMCYZZGERJYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-27-17-22(20-7-2-3-8-23(20)27)21(18-5-4-6-19(26)15-18)16-24(29)28-11-9-25(10-12-28)30-13-14-31-25/h2-8,15,17,21H,9-14,16H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one?
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one has a molecular weight of 438.96 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 42774836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).