2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C26H30N2O3 — CID 91918074

IUPAC2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)CC(OCc1ccccc1)CCO2
InChIInChI=1S/C26H30N2O3/c29-25(16-21-18-27-24-9-5-4-8-23(21)24)28-13-11-26(12-14-28)17-22(10-15-31-26)30-19-20-6-2-1-3-7-20/h1-9,18,22,27H,10-17,19H2
InChIKeyDGGDRCSRXOSMBR-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.47
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 91918074) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID91918074
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)CC(OCc1ccccc1)CCO2
InChIInChI=1S/C26H30N2O3/c29-25(16-21-18-27-24-9-5-4-8-23(21)24)28-13-11-26(12-14-28)17-22(10-15-31-26)30-19-20-6-2-1-3-7-20/h1-9,18,22,27H,10-17,19H2
InChIKeyDGGDRCSRXOSMBR-UHFFFAOYSA-N
XLogP4.47
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462407
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
(2,5-difluorophenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918073
3-(3,5-dimethylpyrazol-1-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91918100
(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918041
(3-methylthiophen-2-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918087
2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97194736
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 91918074) is 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)CC(OCc1ccccc1)CCO2.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is DGGDRCSRXOSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-25(16-21-18-27-24-9-5-4-8-23(21)24)28-13-11-26(12-14-28)17-22(10-15-31-26)30-19-20-6-2-1-3-7-20/h1-9,18,22,27H,10-17,19H2.
What are the key properties of 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 418.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 91918074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).