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

C23H23Cl2FN2O — CID 59004130

IUPAC[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H23Cl2FN2O/c24-17-9-16(10-18(25)11-17)22(29)28-14-23(20-12-19(26)3-4-21(20)28)5-7-27(8-6-23)13-15-1-2-15/h3-4,9-12,15H,1-2,5-8,13-14H2
InChIKeyRWYCJEBNLFJYNY-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.54
Rot. Bonds3

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

[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone (PubChem CID 59004130) has the molecular formula C23H23Cl2FN2O and a molecular weight of 433.35 g/mol. Its IUPAC name is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
PubChem CID59004130
Molecular FormulaC23H23Cl2FN2O
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H23Cl2FN2O/c24-17-9-16(10-18(25)11-17)22(29)28-14-23(20-12-19(26)3-4-21(20)28)5-7-27(8-6-23)13-15-1-2-15/h3-4,9-12,15H,1-2,5-8,13-14H2
InChIKeyRWYCJEBNLFJYNY-UHFFFAOYSA-N
XLogP5.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.54
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]-(3,5-dichlorophenyl)methanone?
The IUPAC name of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone (CID 59004130) is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone?
The canonical SMILES for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone?
The InChIKey is RWYCJEBNLFJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O/c24-17-9-16(10-18(25)11-17)22(29)28-14-23(20-12-19(26)3-4-21(20)28)5-7-27(8-6-23)13-15-1-2-15/h3-4,9-12,15H,1-2,5-8,13-14H2.
What are the key properties of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone?
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone has a molecular weight of 433.35 g/mol, XLogP of 5.54, 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]-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 59004130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).