3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C20H24FN3O2 — CID 166248374

IUPAC3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O
InChIInChI=1S/C20H24FN3O2/c1-2-20(7-8-22-18(20)25)19(26)24-9-5-13(6-10-24)16-12-23-17-11-14(21)3-4-15(16)17/h3-4,11-13,23H,2,5-10H2,1H3,(H,22,25)
InChIKeyGGHNBFKIMOHJFW-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.93
Rot. Bonds3

About 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 166248374) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID166248374
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O
InChIInChI=1S/C20H24FN3O2/c1-2-20(7-8-22-18(20)25)19(26)24-9-5-13(6-10-24)16-12-23-17-11-14(21)3-4-15(16)17/h3-4,11-13,23H,2,5-10H2,1H3,(H,22,25)
InChIKeyGGHNBFKIMOHJFW-UHFFFAOYSA-N
XLogP2.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
4-[[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]butanoic acid
CID 167977981
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 166248374) is 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CCC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O.
What is the InChIKey of 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GGHNBFKIMOHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-20(7-8-22-18(20)25)19(26)24-9-5-13(6-10-24)16-12-23-17-11-14(21)3-4-15(16)17/h3-4,11-13,23H,2,5-10H2,1H3,(H,22,25).
What are the key properties of 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 166248374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).