1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H25FN2O3 — CID 46957846

IUPAC1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1=O
InChIInChI=1S/C19H25FN2O3/c1-2-21-12-15(10-18(21)23)19(24)22-9-3-4-14(11-22)13-25-17-7-5-16(20)6-8-17/h5-8,14-15H,2-4,9-13H2,1H3
InChIKeyXIMURUVDZOAWGN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.31
Rot. Bonds5

About 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46957846) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID46957846
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1=O
InChIInChI=1S/C19H25FN2O3/c1-2-21-12-15(10-18(21)23)19(24)22-9-3-4-14(11-22)13-25-17-7-5-16(20)6-8-17/h5-8,14-15H,2-4,9-13H2,1H3
InChIKeyXIMURUVDZOAWGN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
ethyl 1-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109609
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(4S)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534782
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
ethyl (3R)-1-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9374364
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 46957846) is 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is CCN1CC(C(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1=O.
What is the InChIKey of 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XIMURUVDZOAWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-21-12-15(10-18(21)23)19(24)22-9-3-4-14(11-22)13-25-17-7-5-16(20)6-8-17/h5-8,14-15H,2-4,9-13H2,1H3.
What are the key properties of 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46957846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).