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

C23H24F2N2O — CID 59003926

IUPAC[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H24F2N2O/c24-18-3-1-2-17(12-18)22(28)27-15-23(20-13-19(25)6-7-21(20)27)8-10-26(11-9-23)14-16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11,14-15H2
InChIKeyBRIIWVCZDPKKSE-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.37
Rot. Bonds3

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

[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone (PubChem CID 59003926) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
PubChem CID59003926
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H24F2N2O/c24-18-3-1-2-17(12-18)22(28)27-15-23(20-13-19(25)6-7-21(20)27)8-10-26(11-9-23)14-16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11,14-15H2
InChIKeyBRIIWVCZDPKKSE-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone (CID 59003926) is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is BRIIWVCZDPKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O/c24-18-3-1-2-17(12-18)22(28)27-15-23(20-13-19(25)6-7-21(20)27)8-10-26(11-9-23)14-16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11,14-15H2.
What are the key properties of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone?
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 382.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 59003926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).