[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

C15H21BrN4O — CID 124510950

IUPAC[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H21BrN4O/c16-11-4-5-14(18-10-11)19-6-8-20(9-7-19)15(21)12-2-1-3-13(12)17/h4-5,10,12-13H,1-3,6-9,17H2/t12-,13+/m0/s1
InChIKeyKXCWCPJHGPWZCJ-QWHCGFSZSA-N
MW353.26 g/mol
LogP1.62
Rot. Bonds2

About [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 124510950) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID124510950
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H21BrN4O/c16-11-4-5-14(18-10-11)19-6-8-20(9-7-19)15(21)12-2-1-3-13(12)17/h4-5,10,12-13H,1-3,6-9,17H2/t12-,13+/m0/s1
InChIKeyKXCWCPJHGPWZCJ-QWHCGFSZSA-N
XLogP1.62
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510949
(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 66009179
(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 79209504
[(1R,2R)-2-aminocyclopentyl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 124689009
[(1S,2R)-2-aminocyclopentyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 124696197
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-(1-prop-2-ynylpiperidin-2-yl)methanone
CID 55930430
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (CID 124510950) is [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is N[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is KXCWCPJHGPWZCJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21BrN4O/c16-11-4-5-14(18-10-11)19-6-8-20(9-7-19)15(21)12-2-1-3-13(12)17/h4-5,10,12-13H,1-3,6-9,17H2/t12-,13+/m0/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 353.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124510950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).