1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C27H25ClFN3O5 — CID 59657615

IUPAC1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cn(CC(=O)N4CCOCC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C27H25ClFN3O5/c28-17-1-3-19-21(15-32(23(19)13-17)16-24(33)30-9-11-36-12-10-30)25(34)31-7-5-27(6-8-31)22-4-2-18(29)14-20(22)26(35)37-27/h1-4,13-15H,5-12,16H2
InChIKeyWUZPFMDDBVRCIE-UHFFFAOYSA-N
MW525.96 g/mol
LogP3.59
Rot. Bonds3

About 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 59657615) has the molecular formula C27H25ClFN3O5 and a molecular weight of 525.96 g/mol. Its IUPAC name is 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID59657615
Molecular FormulaC27H25ClFN3O5
Molecular Weight525.96 g/mol
Exact Mass525.15
IUPAC Name1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cn(CC(=O)N4CCOCC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C27H25ClFN3O5/c28-17-1-3-19-21(15-32(23(19)13-17)16-24(33)30-9-11-36-12-10-30)25(34)31-7-5-27(6-8-31)22-4-2-18(29)14-20(22)26(35)37-27/h1-4,13-15H,5-12,16H2
InChIKeyWUZPFMDDBVRCIE-UHFFFAOYSA-N
XLogP3.59
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.96
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 59657615) is 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3cn(CC(=O)N4CCOCC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21.
What is the InChIKey of 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is WUZPFMDDBVRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O5/c28-17-1-3-19-21(15-32(23(19)13-17)16-24(33)30-9-11-36-12-10-30)25(34)31-7-5-27(6-8-31)22-4-2-18(29)14-20(22)26(35)37-27/h1-4,13-15H,5-12,16H2.
What are the key properties of 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 525.96 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 59657615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).