1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C18H25F2N3O2 — CID 131923446

IUPAC1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)n1C(F)F
InChIInChI=1S/C18H25F2N3O2/c1-13-7-8-15(23(13)18(19)20)17(25)22-11-3-2-5-14(22)9-12-21-10-4-6-16(21)24/h7-8,14,18H,2-6,9-12H2,1H3
InChIKeyLVHCVAKQWDBUSA-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 131923446) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID131923446
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)n1C(F)F
InChIInChI=1S/C18H25F2N3O2/c1-13-7-8-15(23(13)18(19)20)17(25)22-11-3-2-5-14(22)9-12-21-10-4-6-16(21)24/h7-8,14,18H,2-6,9-12H2,1H3
InChIKeyLVHCVAKQWDBUSA-UHFFFAOYSA-N
XLogP3.20
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 24793266
1-[2-[1-(3-chloro-4-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70751833
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56914578
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
CID 72864584
1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70758694
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70772143

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 131923446) is 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc(C(=O)N2CCCCC2CCN2CCCC2=O)n1C(F)F.
What is the InChIKey of 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LVHCVAKQWDBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-13-7-8-15(23(13)18(19)20)17(25)22-11-3-2-5-14(22)9-12-21-10-4-6-16(21)24/h7-8,14,18H,2-6,9-12H2,1H3.
What are the key properties of 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 353.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 131923446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).