1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

C17H25BrCl2N4O2 — CID 119856436

IUPAC1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCCC1
InChIInChI=1S/C17H23BrN4O2.2ClH/c18-13-3-4-14(20-11-13)21-15(23)12-5-9-22(10-6-12)16(24)17(19)7-1-2-8-17;;/h3-4,11-12H,1-2,5-10,19H2,(H,20,21,23);2*1H
InChIKeyUWCBIXHUTNYUOX-UHFFFAOYSA-N
MW468.22 g/mol
LogP3.14
Rot. Bonds3

About 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119856436) has the molecular formula C17H25BrCl2N4O2 and a molecular weight of 468.22 g/mol. Its IUPAC name is 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119856436
Molecular FormulaC17H25BrCl2N4O2
Molecular Weight468.22 g/mol
Exact Mass466.05
IUPAC Name1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCCC1
InChIInChI=1S/C17H23BrN4O2.2ClH/c18-13-3-4-14(20-11-13)21-15(23)12-5-9-22(10-6-12)16(24)17(19)7-1-2-8-17;;/h3-4,11-12H,1-2,5-10,19H2,(H,20,21,23);2*1H
InChIKeyUWCBIXHUTNYUOX-UHFFFAOYSA-N
XLogP3.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.22
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 119856436) is 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is UWCBIXHUTNYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2.2ClH/c18-13-3-4-14(20-11-13)21-15(23)12-5-9-22(10-6-12)16(24)17(19)7-1-2-8-17;;/h3-4,11-12H,1-2,5-10,19H2,(H,20,21,23);2*1H.
What are the key properties of 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 468.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119856436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).