1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one

C17H21ClFN3O2 — CID 50789353

IUPAC1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
SMILESCCN1CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C17H21ClFN3O2/c1-2-20-9-10-22(17(20)24)13-5-7-21(8-6-13)16(23)12-3-4-15(19)14(18)11-12/h3-4,11,13H,2,5-10H2,1H3
InChIKeyYJXVDPMVXKULFA-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.84
Rot. Bonds3

About 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one

1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one (PubChem CID 50789353) has the molecular formula C17H21ClFN3O2 and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
PubChem CID50789353
Molecular FormulaC17H21ClFN3O2
Molecular Weight353.83 g/mol
Exact Mass353.13
IUPAC Name1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
SMILESCCN1CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C17H21ClFN3O2/c1-2-20-9-10-22(17(20)24)13-5-7-21(8-6-13)16(23)12-3-4-15(19)14(18)11-12/h3-4,11,13H,2,5-10H2,1H3
InChIKeyYJXVDPMVXKULFA-UHFFFAOYSA-N
XLogP2.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The IUPAC name of 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one (CID 50789353) is 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one is CCN1CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1=O.
What is the InChIKey of 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The InChIKey is YJXVDPMVXKULFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O2/c1-2-20-9-10-22(17(20)24)13-5-7-21(8-6-13)16(23)12-3-4-15(19)14(18)11-12/h3-4,11,13H,2,5-10H2,1H3.
What are the key properties of 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one has a molecular weight of 353.83 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one is sourced from PubChem (CID 50789353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).