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

C20H27FN2O3 — CID 24790276

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-18-8-11-22(12-9-18)20(25)16-5-6-19(24)23(14-16)10-7-15-3-2-4-17(21)13-15/h2-4,13,16,18H,5-12,14H2,1H3
InChIKeyLANNRJANMZXCBC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.24
Rot. Bonds5

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

1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one (PubChem CID 24790276) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
PubChem CID24790276
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-18-8-11-22(12-9-18)20(25)16-5-6-19(24)23(14-16)10-7-15-3-2-4-17(21)13-15/h2-4,13,16,18H,5-12,14H2,1H3
InChIKeyLANNRJANMZXCBC-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
(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
(2R)-9-[2-(2,3-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561099
Cambridge id 5260289
CID 2838041
Methyl 1-{[6-oxo-1-(3-phenylpropyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate
CID 24790447
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
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one (CID 24790276) is 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one is COC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is LANNRJANMZXCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-26-18-8-11-22(12-9-18)20(25)16-5-6-19(24)23(14-16)10-7-15-3-2-4-17(21)13-15/h2-4,13,16,18H,5-12,14H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 362.45 g/mol, XLogP of 2.24, 5 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-methoxypiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24790276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).