1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

C19H25FN2O3 — CID 70741060

IUPAC1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1C(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C19H25FN2O3/c1-25-16-8-4-7-15(20)18(16)19(24)22-12-3-2-6-14(22)10-13-21-11-5-9-17(21)23/h4,7-8,14H,2-3,5-6,9-13H2,1H3
InChIKeyDGSBMRPPYBLAOK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 70741060) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID70741060
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1C(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C19H25FN2O3/c1-25-16-8-4-7-15(20)18(16)19(24)22-12-3-2-6-14(22)10-13-21-11-5-9-17(21)23/h4,7-8,14H,2-3,5-6,9-13H2,1H3
InChIKeyDGSBMRPPYBLAOK-UHFFFAOYSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
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
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
CID 72864584
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 70741060) is 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is COc1cccc(F)c1C(=O)N1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is DGSBMRPPYBLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-25-16-8-4-7-15(20)18(16)19(24)22-12-3-2-6-14(22)10-13-21-11-5-9-17(21)23/h4,7-8,14H,2-3,5-6,9-13H2,1H3.
What are the key properties of 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70741060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).