(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C22H22F2N2O — CID 59004170

IUPAC(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccccc12
InChIInChI=1S/C22H22F2N2O/c1-2-12-25-13-10-22(11-14-25)15-26(19-9-4-3-7-17(19)22)21(27)16-6-5-8-18(23)20(16)24/h2-9H,1,10-15H2
InChIKeyUEOMXDFDZKXFBM-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.14
Rot. Bonds3

About (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 59004170) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID59004170
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccccc12
InChIInChI=1S/C22H22F2N2O/c1-2-12-25-13-10-22(11-14-25)15-26(19-9-4-3-7-17(19)22)21(27)16-6-5-8-18(23)20(16)24/h2-9H,1,10-15H2
InChIKeyUEOMXDFDZKXFBM-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 59004170) is (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C=CCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccccc12.
What is the InChIKey of (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is UEOMXDFDZKXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-2-12-25-13-10-22(11-14-25)15-26(19-9-4-3-7-17(19)22)21(27)16-6-5-8-18(23)20(16)24/h2-9H,1,10-15H2.
What are the key properties of (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 368.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 59004170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).