3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C30H30FN3O2 — CID 10390570

IUPAC3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30FN3O2/c31-25-11-12-27-26(19-25)24(20-32-27)13-16-33-17-14-30(15-18-33)21-34(29(35)36-30)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19-20,28,32H,13-18,21H2
InChIKeyRCBLEPQBUGRHQD-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.93
Rot. Bonds6

About 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10390570) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10390570
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30FN3O2/c31-25-11-12-27-26(19-25)24(20-32-27)13-16-33-17-14-30(15-18-33)21-34(29(35)36-30)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19-20,28,32H,13-18,21H2
InChIKeyRCBLEPQBUGRHQD-UHFFFAOYSA-N
XLogP5.93
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10390570) is 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RCBLEPQBUGRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O2/c31-25-11-12-27-26(19-25)24(20-32-27)13-16-33-17-14-30(15-18-33)21-34(29(35)36-30)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19-20,28,32H,13-18,21H2.
What are the key properties of 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 483.59 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10390570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).