[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C19H23ClN4O — CID 120751532

IUPAC[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H
InChIKeyQDQRLIQVBODSSD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.48
Rot. Bonds4

About [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751532) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751532
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H
InChIKeyQDQRLIQVBODSSD-UHFFFAOYSA-N
XLogP3.48
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride 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

[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752666
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 120753091
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752786
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
CID 120753085
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120752110
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide
CID 120752111
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086

Frequently Asked Questions

What is the IUPAC name of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751532) is [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1.
What is the InChIKey of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is QDQRLIQVBODSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H.
What are the key properties of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).