(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone

C15H20BrN3O — CID 60735608

IUPAC(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-5-18(6-8-19)14-3-1-2-4-14/h9-11,14H,1-8H2
InChIKeyOEKGDBQJYIMWFA-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.54
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone

(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 60735608) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID60735608
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-5-18(6-8-19)14-3-1-2-4-14/h9-11,14H,1-8H2
InChIKeyOEKGDBQJYIMWFA-UHFFFAOYSA-N
XLogP2.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956730
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone (CID 60735608) is (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone is O=C(c1cncc(Br)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is OEKGDBQJYIMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-5-18(6-8-19)14-3-1-2-4-14/h9-11,14H,1-8H2.
What are the key properties of (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 60735608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).