1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C21H19N3O3 — CID 56895980

IUPAC1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(Cc1noc2ccccc12)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N3O3/c25-19(13-17-14-5-1-4-8-18(14)27-23-17)24-11-9-21(10-12-24)15-6-2-3-7-16(15)22-20(21)26/h1-8H,9-13H2,(H,22,26)
InChIKeyPCRKWIAZGFHSHE-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.88
Rot. Bonds2

About 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56895980) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56895980
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(Cc1noc2ccccc12)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N3O3/c25-19(13-17-14-5-1-4-8-18(14)27-23-17)24-11-9-21(10-12-24)15-6-2-3-7-16(15)22-20(21)26/h1-8H,9-13H2,(H,22,26)
InChIKeyPCRKWIAZGFHSHE-UHFFFAOYSA-N
XLogP2.88
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 56895980) is 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C(Cc1noc2ccccc12)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is PCRKWIAZGFHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19(13-17-14-5-1-4-8-18(14)27-23-17)24-11-9-21(10-12-24)15-6-2-3-7-16(15)22-20(21)26/h1-8H,9-13H2,(H,22,26).
What are the key properties of 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 361.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56895980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).