(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

C15H22Cl4N4O — CID 119844355

IUPAC(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1
InChIInChI=1S/C15H20Cl2N4O.2ClH/c16-11-8-13(17)14(19-9-11)20-3-5-21(6-4-20)15(22)10-1-2-12(18)7-10;;/h8-10,12H,1-7,18H2;2*1H
InChIKeyGDHCMQBJVPMZCL-UHFFFAOYSA-N
MW416.18 g/mol
LogP3.01
Rot. Bonds2

About (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119844355) has the molecular formula C15H22Cl4N4O and a molecular weight of 416.18 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119844355
Molecular FormulaC15H22Cl4N4O
Molecular Weight416.18 g/mol
Exact Mass414.05
IUPAC Name(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1
InChIInChI=1S/C15H20Cl2N4O.2ClH/c16-11-8-13(17)14(19-9-11)20-3-5-21(6-4-20)15(22)10-1-2-12(18)7-10;;/h8-10,12H,1-7,18H2;2*1H
InChIKeyGDHCMQBJVPMZCL-UHFFFAOYSA-N
XLogP3.01
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (CID 119844355) is (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1CCC(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is GDHCMQBJVPMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O.2ClH/c16-11-8-13(17)14(19-9-11)20-3-5-21(6-4-20)15(22)10-1-2-12(18)7-10;;/h8-10,12H,1-7,18H2;2*1H.
What are the key properties of (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 416.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119844355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).