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

C24H27FN2O2 — CID 11246409

IUPAC[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H27FN2O2/c1-29-20-7-4-18(5-8-20)23(28)27-16-24(21-14-19(25)6-9-22(21)27)10-12-26(13-11-24)15-17-2-3-17/h4-9,14,17H,2-3,10-13,15-16H2,1H3
InChIKeyFPFBYQMJNRHUQR-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.24
Rot. Bonds4

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

[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 11246409) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
PubChem CID11246409
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H27FN2O2/c1-29-20-7-4-18(5-8-20)23(28)27-16-24(21-14-19(25)6-9-22(21)27)10-12-26(13-11-24)15-17-2-3-17/h4-9,14,17H,2-3,10-13,15-16H2,1H3
InChIKeyFPFBYQMJNRHUQR-UHFFFAOYSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone (CID 11246409) is [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is FPFBYQMJNRHUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-29-20-7-4-18(5-8-20)23(28)27-16-24(21-14-19(25)6-9-22(21)27)10-12-26(13-11-24)15-17-2-3-17/h4-9,14,17H,2-3,10-13,15-16H2,1H3.
What are the key properties of [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone?
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 394.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11246409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).