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

C25H28N2O3 — CID 42774748

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
SMILESCn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H28N2O3/c1-26-18-22(20-9-5-6-10-23(20)26)21(19-7-3-2-4-8-19)17-24(28)27-13-11-25(12-14-27)29-15-16-30-25/h2-10,18,21H,11-17H2,1H3
InChIKeyMCBRVAGORNVNPX-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.07
Rot. Bonds4

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one (PubChem CID 42774748) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
PubChem CID42774748
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
SMILESCn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H28N2O3/c1-26-18-22(20-9-5-6-10-23(20)26)21(19-7-3-2-4-8-19)17-24(28)27-13-11-25(12-14-27)29-15-16-30-25/h2-10,18,21H,11-17H2,1H3
InChIKeyMCBRVAGORNVNPX-UHFFFAOYSA-N
XLogP4.07
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-(1-methylindol-3-yl)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 42774763
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
(3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93122576
1-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 4273313
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 42804519
3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3449662
3-(4-fluorophenyl)-3-(1-methylindol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4535918
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
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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)-3-phenylpropan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one (CID 42774748) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one is Cn1cc(C(CC(=O)N2CCC3(CC2)OCCO3)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one?
The InChIKey is MCBRVAGORNVNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-26-18-22(20-9-5-6-10-23(20)26)21(19-7-3-2-4-8-19)17-24(28)27-13-11-25(12-14-27)29-15-16-30-25/h2-10,18,21H,11-17H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one has a molecular weight of 404.51 g/mol, XLogP of 4.07, 4 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)-3-phenylpropan-1-one is sourced from PubChem (CID 42774748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).