4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride

C18H24ClF2N3O2 — CID 119435914

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl
InChIInChI=1S/C18H23F2N3O2.ClH/c1-11(21)15-4-2-3-7-22(15)18(25)12-8-17(24)23(10-12)16-6-5-13(19)9-14(16)20;/h5-6,9,11-12,15H,2-4,7-8,10,21H2,1H3;1H
InChIKeyHZEYJJRYWIFHCL-UHFFFAOYSA-N
MW387.86 g/mol
LogP2.47
Rot. Bonds3

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119435914) has the molecular formula C18H24ClF2N3O2 and a molecular weight of 387.86 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119435914
Molecular FormulaC18H24ClF2N3O2
Molecular Weight387.86 g/mol
Exact Mass387.15
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl
InChIInChI=1S/C18H23F2N3O2.ClH/c1-11(21)15-4-2-3-7-22(15)18(25)12-8-17(24)23(10-12)16-6-5-13(19)9-14(16)20;/h5-6,9,11-12,15H,2-4,7-8,10,21H2,1H3;1H
InChIKeyHZEYJJRYWIFHCL-UHFFFAOYSA-N
XLogP2.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
1-(2,4-difluorophenyl)-4-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119490260
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
1-(2,4-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540176
N-(2-amino-1-cyclohexylethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119590398
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 120656440
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 119435412
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride (CID 119435914) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride is CC(N)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is HZEYJJRYWIFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2.ClH/c1-11(21)15-4-2-3-7-22(15)18(25)12-8-17(24)23(10-12)16-6-5-13(19)9-14(16)20;/h5-6,9,11-12,15H,2-4,7-8,10,21H2,1H3;1H.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 387.86 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119435914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).