2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone

C14H19BrN2O — CID 116568711

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(Br)cn2)CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(6-3-7-16-10-14)13(18)8-12-5-4-11(15)9-17-12/h4-5,9,16H,2-3,6-8,10H2,1H3
InChIKeyJTDVWYSWWXDYIR-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone (PubChem CID 116568711) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
PubChem CID116568711
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(Br)cn2)CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(6-3-7-16-10-14)13(18)8-12-5-4-11(15)9-17-12/h4-5,9,16H,2-3,6-8,10H2,1H3
InChIKeyJTDVWYSWWXDYIR-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569629
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
CID 104814136
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659
2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
CID 104798866
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568641
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone (CID 116568711) is 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone is CCC1(C(=O)Cc2ccc(Br)cn2)CCCNC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The InChIKey is JTDVWYSWWXDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(6-3-7-16-10-14)13(18)8-12-5-4-11(15)9-17-12/h4-5,9,16H,2-3,6-8,10H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone has a molecular weight of 311.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116568711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).