[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C25H30BrN3O2 — CID 46434956

IUPAC[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C25H30BrN3O2/c1-17-5-4-12-29(16-17)24(30)19-10-13-28(14-11-19)25(31)22-8-9-23(27-18(22)2)20-6-3-7-21(26)15-20/h3,6-9,15,17,19H,4-5,10-14,16H2,1-2H3
InChIKeyWCPMODFMWHJSHL-UHFFFAOYSA-N
MW484.44 g/mol
LogP4.93
Rot. Bonds3

About [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 46434956) has the molecular formula C25H30BrN3O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID46434956
Molecular FormulaC25H30BrN3O2
Molecular Weight484.44 g/mol
Exact Mass483.15
IUPAC Name[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C25H30BrN3O2/c1-17-5-4-12-29(16-17)24(30)19-10-13-28(14-11-19)25(31)22-8-9-23(27-18(22)2)20-6-3-7-21(26)15-20/h3,6-9,15,17,19H,4-5,10-14,16H2,1-2H3
InChIKeyWCPMODFMWHJSHL-UHFFFAOYSA-N
XLogP4.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 46434956) is [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WCPMODFMWHJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN3O2/c1-17-5-4-12-29(16-17)24(30)19-10-13-28(14-11-19)25(31)22-8-9-23(27-18(22)2)20-6-3-7-21(26)15-20/h3,6-9,15,17,19H,4-5,10-14,16H2,1-2H3.
What are the key properties of [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 484.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46434956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).