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

C19H26Cl3N5O2 — CID 119839925

IUPAC(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCCC1
InChIInChI=1S/C19H24ClN5O2.2ClH/c20-15-5-3-14(4-6-15)17-22-16(27-23-17)13-24-9-11-25(12-10-24)18(26)19(21)7-1-2-8-19;;/h3-6H,1-2,7-13,21H2;2*1H
InChIKeyCKPBDKMUCSBWLQ-UHFFFAOYSA-N
MW462.81 g/mol
LogP3.15
Rot. Bonds4

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

(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119839925) has the molecular formula C19H26Cl3N5O2 and a molecular weight of 462.81 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119839925
Molecular FormulaC19H26Cl3N5O2
Molecular Weight462.81 g/mol
Exact Mass461.12
IUPAC Name(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCCC1
InChIInChI=1S/C19H24ClN5O2.2ClH/c20-15-5-3-14(4-6-15)17-22-16(27-23-17)13-24-9-11-25(12-10-24)18(26)19(21)7-1-2-8-19;;/h3-6H,1-2,7-13,21H2;2*1H
InChIKeyCKPBDKMUCSBWLQ-UHFFFAOYSA-N
XLogP3.15
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-aminocyclopropyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839913
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703500
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 127808808
(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839827
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952
3-(4-chlorophenoxy)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 55704457
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 53148666
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 53148682
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 34526668
(1-aminocyclohexyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119831345
1-(4-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butane-1,4-dione
CID 134042188

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119839925) is (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is CKPBDKMUCSBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2.2ClH/c20-15-5-3-14(4-6-15)17-22-16(27-23-17)13-24-9-11-25(12-10-24)18(26)19(21)7-1-2-8-19;;/h3-6H,1-2,7-13,21H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 462.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119839925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).