(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone

C20H21FN2O2 — CID 23764734

IUPAC(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2(CCN(C3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H21FN2O2/c21-14-3-6-17-16(12-14)20(7-9-22(10-8-20)15-4-5-15)13-23(17)19(24)18-2-1-11-25-18/h1-3,6,11-12,15H,4-5,7-10,13H2
InChIKeyVQMSOXKNNIFZAR-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.58
Rot. Bonds2

About (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone

(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone (PubChem CID 23764734) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
PubChem CID23764734
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2(CCN(C3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H21FN2O2/c21-14-3-6-17-16(12-14)20(7-9-22(10-8-20)15-4-5-15)13-23(17)19(24)18-2-1-11-25-18/h1-3,6,11-12,15H,4-5,7-10,13H2
InChIKeyVQMSOXKNNIFZAR-UHFFFAOYSA-N
XLogP3.58
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone (CID 23764734) is (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone is O=C(c1ccco1)N1CC2(CCN(C3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone?
The InChIKey is VQMSOXKNNIFZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-14-3-6-17-16(12-14)20(7-9-22(10-8-20)15-4-5-15)13-23(17)19(24)18-2-1-11-25-18/h1-3,6,11-12,15H,4-5,7-10,13H2.
What are the key properties of (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone?
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone has a molecular weight of 340.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 23764734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).