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

C19H22FN3O2 — CID 166249941

IUPAC3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
SMILESCC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O
InChIInChI=1S/C19H22FN3O2/c1-19(6-7-21-17(19)24)18(25)23-8-4-12(5-9-23)15-11-22-16-10-13(20)2-3-14(15)16/h2-3,10-12,22H,4-9H2,1H3,(H,21,24)
InChIKeyGOBVNTFXUKRJJQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.54
Rot. Bonds2

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

3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one (PubChem CID 166249941) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
PubChem CID166249941
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
SMILESCC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O
InChIInChI=1S/C19H22FN3O2/c1-19(6-7-21-17(19)24)18(25)23-8-4-12(5-9-23)15-11-22-16-10-13(20)2-3-14(15)16/h2-3,10-12,22H,4-9H2,1H3,(H,21,24)
InChIKeyGOBVNTFXUKRJJQ-UHFFFAOYSA-N
XLogP2.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.54
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-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166248374
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
[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
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
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
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one (CID 166249941) is 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one is CC1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CCNC1=O.
What is the InChIKey of 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one?
The InChIKey is GOBVNTFXUKRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(6-7-21-17(19)24)18(25)23-8-4-12(5-9-23)15-11-22-16-10-13(20)2-3-14(15)16/h2-3,10-12,22H,4-9H2,1H3,(H,21,24).
What are the key properties of 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one?
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one has a molecular weight of 343.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 166249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).