1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C21H26FN3O2 — CID 70762197

IUPAC1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)cc2cc(F)ccc21
InChIInChI=1S/C21H26FN3O2/c1-23-18-5-4-17(22)13-16(18)14-19(23)21(27)25-11-7-15(8-12-25)6-10-24-9-2-3-20(24)26/h4-5,13-15H,2-3,6-12H2,1H3
InChIKeyRRBGHUWBIDUCFH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70762197) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70762197
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)cc2cc(F)ccc21
InChIInChI=1S/C21H26FN3O2/c1-23-18-5-4-17(22)13-16(18)14-19(23)21(27)25-11-7-15(8-12-25)6-10-24-9-2-3-20(24)26/h4-5,13-15H,2-3,6-12H2,1H3
InChIKeyRRBGHUWBIDUCFH-UHFFFAOYSA-N
XLogP3.18
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70762197) is 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)cc2cc(F)ccc21.
What is the InChIKey of 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is RRBGHUWBIDUCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-23-18-5-4-17(22)13-16(18)14-19(23)21(27)25-11-7-15(8-12-25)6-10-24-9-2-3-20(24)26/h4-5,13-15H,2-3,6-12H2,1H3.
What are the key properties of 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70762197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).