1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

C20H28FN3O3 — CID 24818968

IUPAC1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C20H28FN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-6-7-19(25)24(15-17)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3
InChIKeyIREWFJRWACMFMX-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.35
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24818968) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24818968
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C20H28FN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-6-7-19(25)24(15-17)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3
InChIKeyIREWFJRWACMFMX-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (CID 24818968) is 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is IREWFJRWACMFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-6-7-19(25)24(15-17)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 377.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24818968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).