1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one

C22H31FN2O4 — CID 24790640

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCOC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H31FN2O4/c1-28-13-14-29-20-8-11-24(12-9-20)22(27)18-5-6-21(26)25(16-18)10-7-17-3-2-4-19(23)15-17/h2-4,15,18,20H,5-14,16H2,1H3
InChIKeyJHKRDTQPASQING-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.26
Rot. Bonds8

About 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one

1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24790640) has the molecular formula C22H31FN2O4 and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24790640
Molecular FormulaC22H31FN2O4
Molecular Weight406.50 g/mol
Exact Mass406.23
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCOC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H31FN2O4/c1-28-13-14-29-20-8-11-24(12-9-20)22(27)18-5-6-21(26)25(16-18)10-7-17-3-2-4-19(23)15-17/h2-4,15,18,20H,5-14,16H2,1H3
InChIKeyJHKRDTQPASQING-UHFFFAOYSA-N
XLogP2.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
Methyl 1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24819508
(2R)-4-ethyl-9-[2-(4-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162669410
1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24790838
Ethyl 4-{[6-oxo-1-(3-phenylpropyl)-3-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 24793040
1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-3-piperidinecarboxamide
CID 24817203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one (CID 24790640) is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one is COCCOC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is JHKRDTQPASQING-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O4/c1-28-13-14-29-20-8-11-24(12-9-20)22(27)18-5-6-21(26)25(16-18)10-7-17-3-2-4-19(23)15-17/h2-4,15,18,20H,5-14,16H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 406.50 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).