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

C20H27FN2O3 — CID 24817462

IUPAC1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-14-15-7-9-22(10-8-15)20(25)17-5-6-19(24)23(13-17)12-16-3-2-4-18(21)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3
InChIKeySENIBDRSOJTCMZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.45
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24817462) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24817462
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-14-15-7-9-22(10-8-15)20(25)17-5-6-19(24)23(13-17)12-16-3-2-4-18(21)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3
InChIKeySENIBDRSOJTCMZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3769094
(4-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3791194
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
GT-12
CID 164934
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000
(1-(4-Fluorobenzyl)piperidin-3-yl)(piperidin-1-yl)methanone oxalate
CID 24747462
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (CID 24817462) is 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is COCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is SENIBDRSOJTCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-26-14-15-7-9-22(10-8-15)20(25)17-5-6-19(24)23(13-17)12-16-3-2-4-18(21)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 362.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24817462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).