(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride

C19H27Cl2N5O2 — CID 119855455

IUPAC(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)C4(N)CC4)CC3)n2)cc1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-13-3-5-15(6-4-13)16-21-17(26-22-16)14(2)23-9-11-24(12-10-23)18(25)19(20)7-8-19;;/h3-6,14H,7-12,20H2,1-2H3;2*1H
InChIKeyOUOWMGOBXGXKLZ-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.59
Rot. Bonds4

About (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119855455) has the molecular formula C19H27Cl2N5O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119855455
Molecular FormulaC19H27Cl2N5O2
Molecular Weight428.36 g/mol
Exact Mass427.15
IUPAC Name(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)C4(N)CC4)CC3)n2)cc1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-13-3-5-15(6-4-13)16-21-17(26-22-16)14(2)23-9-11-24(12-10-23)18(25)19(20)7-8-19;;/h3-6,14H,7-12,20H2,1-2H3;2*1H
InChIKeyOUOWMGOBXGXKLZ-UHFFFAOYSA-N
XLogP2.59
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868200
(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55678132
2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855476
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 55636664
[4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea
CID 43073692
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
2-[3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 55578891

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 119855455) is (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)C4(N)CC4)CC3)n2)cc1.Cl.Cl.
What is the InChIKey of (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is OUOWMGOBXGXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.2ClH/c1-13-3-5-15(6-4-13)16-21-17(26-22-16)14(2)23-9-11-24(12-10-23)18(25)19(20)7-8-19;;/h3-6,14H,7-12,20H2,1-2H3;2*1H.
What are the key properties of (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119855455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).