(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

C15H21BrN4O — CID 66009179

IUPAC(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C15H21BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h2,4,10-11,13H,1,3,5-9,17H2
InChIKeyIQFLCLNMEOIDGD-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.62
Rot. Bonds2

About (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 66009179) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID66009179
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C15H21BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h2,4,10-11,13H,1,3,5-9,17H2
InChIKeyIQFLCLNMEOIDGD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (CID 66009179) is (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is NC1CCC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is IQFLCLNMEOIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h2,4,10-11,13H,1,3,5-9,17H2.
What are the key properties of (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
(3-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 (3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66009179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).