3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

C19H21ClFN3O2 — CID 77092812

IUPAC3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-12-10-13(2)22(3)18(25)17(12)19(26)24-8-6-23(7-9-24)14-4-5-16(21)15(20)11-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyFYQAKCUDPPADIB-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.76
Rot. Bonds2

About 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 77092812) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID77092812
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-12-10-13(2)22(3)18(25)17(12)19(26)24-8-6-23(7-9-24)14-4-5-16(21)15(20)11-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyFYQAKCUDPPADIB-UHFFFAOYSA-N
XLogP2.76
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 77092812) is 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is FYQAKCUDPPADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-12-10-13(2)22(3)18(25)17(12)19(26)24-8-6-23(7-9-24)14-4-5-16(21)15(20)11-14/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 377.85 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 77092812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).