(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

C17H25Cl2N5O2S — CID 119839827

IUPAC(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CCCC1
InChIInChI=1S/C17H23N5O2S.2ClH/c18-17(5-1-2-6-17)16(23)22-9-7-21(8-10-22)12-14-19-15(20-24-14)13-4-3-11-25-13;;/h3-4,11H,1-2,5-10,12,18H2;2*1H
InChIKeyKVDQYJOWPYJVEL-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.56
Rot. Bonds4

About (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119839827) has the molecular formula C17H25Cl2N5O2S and a molecular weight of 434.39 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119839827
Molecular FormulaC17H25Cl2N5O2S
Molecular Weight434.39 g/mol
Exact Mass433.11
IUPAC Name(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CCCC1
InChIInChI=1S/C17H23N5O2S.2ClH/c18-17(5-1-2-6-17)16(23)22-9-7-21(8-10-22)12-14-19-15(20-24-14)13-4-3-11-25-13;;/h3-4,11H,1-2,5-10,12,18H2;2*1H
InChIKeyKVDQYJOWPYJVEL-UHFFFAOYSA-N
XLogP2.56
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839925
(2R)-2-amino-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839831
(4-phenyloxan-4-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55678412
(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868200
3-(2-hydroxyphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126215
(1-aminocyclopropyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839913
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 56538461
piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839823
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
3-(furan-2-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126710
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797525

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119839827) is (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is KVDQYJOWPYJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S.2ClH/c18-17(5-1-2-6-17)16(23)22-9-7-21(8-10-22)12-14-19-15(20-24-14)13-4-3-11-25-13;;/h3-4,11H,1-2,5-10,12,18H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).