(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone

C13H16Cl2N2O — CID 62330677

IUPAC(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-4-17(9(2)5-8)13(18)10-6-11(14)12(15)16-7-10/h6-9H,3-5H2,1-2H3
InChIKeyBDMKFLWHKAOYCR-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.65
Rot. Bonds1

About (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone

(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62330677) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID62330677
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-4-17(9(2)5-8)13(18)10-6-11(14)12(15)16-7-10/h6-9H,3-5H2,1-2H3
InChIKeyBDMKFLWHKAOYCR-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43421024
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
(3,4-dichloro-5-nitrophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62331028
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900302
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 62331984
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 65387685
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763468
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 62330677) is (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)C1.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is BDMKFLWHKAOYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-3-4-17(9(2)5-8)13(18)10-6-11(14)12(15)16-7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 287.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62330677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).