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

C21H29FN2O3 — CID 24819358

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H29FN2O3/c1-27-15-17-8-10-23(11-9-17)21(26)18-5-6-20(25)24(14-18)12-7-16-3-2-4-19(22)13-16/h2-4,13,17-18H,5-12,14-15H2,1H3
InChIKeyIGIKGQAZMBPXSI-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.49
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24819358) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24819358
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H29FN2O3/c1-27-15-17-8-10-23(11-9-17)21(26)18-5-6-20(25)24(14-18)12-7-16-3-2-4-19(22)13-16/h2-4,13,17-18H,5-12,14-15H2,1H3
InChIKeyIGIKGQAZMBPXSI-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
CID 42343426
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-[2-(3-fluorophenyl)ethyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 24790741
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-5-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 45250759
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620
ethyl 3-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]propanoate
CID 26410547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (CID 24819358) is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is COCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is IGIKGQAZMBPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-27-15-17-8-10-23(11-9-17)21(26)18-5-6-20(25)24(14-18)12-7-16-3-2-4-19(22)13-16/h2-4,13,17-18H,5-12,14-15H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 376.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24819358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).