(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride

C12H19Cl2N3OS — CID 119894757

IUPAC(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3cccs3)CC2)CC1
InChIInChI=1S/C12H17N3OS.2ClH/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10;;/h1-2,9H,3-8,13H2;2*1H
InChIKeySSGCRDOPIRAKDR-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.73
Rot. Bonds2

About (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119894757) has the molecular formula C12H19Cl2N3OS and a molecular weight of 324.28 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119894757
Molecular FormulaC12H19Cl2N3OS
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC Name(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3cccs3)CC2)CC1
InChIInChI=1S/C12H17N3OS.2ClH/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10;;/h1-2,9H,3-8,13H2;2*1H
InChIKeySSGCRDOPIRAKDR-UHFFFAOYSA-N
XLogP1.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119894828
(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 136538916
(3-aminocyclopentyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894779
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844341
(1-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842621
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 136548773

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride (CID 119894757) is (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(c3cccs3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is SSGCRDOPIRAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS.2ClH/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10;;/h1-2,9H,3-8,13H2;2*1H.
What are the key properties of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride?
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 324.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119894757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).