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

C19H26FN3O2 — CID 24793260

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-9-11-22(12-10-21)19(25)16-5-6-18(24)23(14-16)8-7-15-3-2-4-17(20)13-15/h2-4,13,16H,5-12,14H2,1H3
InChIKeyWXRVZOTVLDSVPA-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.38
Rot. Bonds4

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

1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 24793260) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID24793260
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-9-11-22(12-10-21)19(25)16-5-6-18(24)23(14-16)8-7-15-3-2-4-17(20)13-15/h2-4,13,16H,5-12,14H2,1H3
InChIKeyWXRVZOTVLDSVPA-UHFFFAOYSA-N
XLogP1.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one (CID 24793260) is 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one is CN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is WXRVZOTVLDSVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-9-11-22(12-10-21)19(25)16-5-6-18(24)23(14-16)8-7-15-3-2-4-17(20)13-15/h2-4,13,16H,5-12,14H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 347.43 g/mol, XLogP of 1.38, 4 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-methylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24793260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).