4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one

C21H26FN3O2 — CID 126899702

IUPAC4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1cc(CC(=O)N2CCC(N3CC(CF)CC3=O)CC2)c2ccccc21
InChIInChI=1S/C21H26FN3O2/c1-23-14-16(18-4-2-3-5-19(18)23)11-20(26)24-8-6-17(7-9-24)25-13-15(12-22)10-21(25)27/h2-5,14-15,17H,6-13H2,1H3
InChIKeyLWCDMXFEKCIOIL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.53
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899702) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899702
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1cc(CC(=O)N2CCC(N3CC(CF)CC3=O)CC2)c2ccccc21
InChIInChI=1S/C21H26FN3O2/c1-23-14-16(18-4-2-3-5-19(18)23)11-20(26)24-8-6-17(7-9-24)25-13-15(12-22)10-21(25)27/h2-5,14-15,17H,6-13H2,1H3
InChIKeyLWCDMXFEKCIOIL-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899704
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
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2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899702) is 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one is Cn1cc(CC(=O)N2CCC(N3CC(CF)CC3=O)CC2)c2ccccc21.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LWCDMXFEKCIOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-23-14-16(18-4-2-3-5-19(18)23)11-20(26)24-8-6-17(7-9-24)25-13-15(12-22)10-21(25)27/h2-5,14-15,17H,6-13H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).