1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C15H19Cl2N3O2 — CID 154847922

IUPAC1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cc(Cl)nc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9(2)14(21)19-4-6-20(7-5-19)15(22)11-8-12(16)18-13(17)10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyBIGFAOQYBIAPFW-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 154847922) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID154847922
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cc(Cl)nc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9(2)14(21)19-4-6-20(7-5-19)15(22)11-8-12(16)18-13(17)10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyBIGFAOQYBIAPFW-UHFFFAOYSA-N
XLogP2.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
2-methyl-1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806268
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106837
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
1-[4-(3,5-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800255
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800217
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 154847922) is 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)cc(Cl)nc1Cl.
What is the InChIKey of 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is BIGFAOQYBIAPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(2)14(21)19-4-6-20(7-5-19)15(22)11-8-12(16)18-13(17)10(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 154847922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).