1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C18H24Cl2N4O — CID 119926316

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Clc1ccc(-c2noc(CN3CCC(NCC4CC4)CC3)n2)cc1
InChIInChI=1S/C18H23ClN4O.ClH/c19-15-5-3-14(4-6-15)18-21-17(24-22-18)12-23-9-7-16(8-10-23)20-11-13-1-2-13;/h3-6,13,16,20H,1-2,7-12H2;1H
InChIKeyLJLJCYQSELYHBJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.78
Rot. Bonds6

About 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 119926316) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID119926316
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Clc1ccc(-c2noc(CN3CCC(NCC4CC4)CC3)n2)cc1
InChIInChI=1S/C18H23ClN4O.ClH/c19-15-5-3-14(4-6-15)18-21-17(24-22-18)12-23-9-7-16(8-10-23)20-11-13-1-2-13;/h3-6,13,16,20H,1-2,7-12H2;1H
InChIKeyLJLJCYQSELYHBJ-UHFFFAOYSA-N
XLogP3.78
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346
N-methyl-1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922630
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119924881
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926686
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120728336
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 34526668
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyclopentyloxyphenyl)piperidine-4-carboxamide
CID 38158054

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 119926316) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is Cl.Clc1ccc(-c2noc(CN3CCC(NCC4CC4)CC3)n2)cc1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is LJLJCYQSELYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O.ClH/c19-15-5-3-14(4-6-15)18-21-17(24-22-18)12-23-9-7-16(8-10-23)20-11-13-1-2-13;/h3-6,13,16,20H,1-2,7-12H2;1H.
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119926316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).