4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one

C18H17Cl2N3O2 — CID 131702383

IUPAC4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C18H17Cl2N3O2/c19-15-4-1-5-16(20)14(15)6-7-17(24)22-9-10-23(18(25)12-22)13-3-2-8-21-11-13/h1-5,8,11H,6-7,9-10,12H2
InChIKeyLCUZEBRBIMVDDQ-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one

4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one (PubChem CID 131702383) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
PubChem CID131702383
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C18H17Cl2N3O2/c19-15-4-1-5-16(20)14(15)6-7-17(24)22-9-10-23(18(25)12-22)13-3-2-8-21-11-13/h1-5,8,11H,6-7,9-10,12H2
InChIKeyLCUZEBRBIMVDDQ-UHFFFAOYSA-N
XLogP3.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
CID 126855630
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
CID 70721245
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126851693
1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
CID 100600205
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
3-(2,3-dichlorophenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one
CID 46460569

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one (CID 131702383) is 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one is O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is LCUZEBRBIMVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-15-4-1-5-16(20)14(15)6-7-17(24)22-9-10-23(18(25)12-22)13-3-2-8-21-11-13/h1-5,8,11H,6-7,9-10,12H2.
What are the key properties of 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one?
4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 378.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 131702383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).