2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride

C18H25ClN4O2 — CID 120591759

IUPAC2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
SMILESCc1nc(CC2CCCN(C(=O)C(C)(N)c3ccccc3)C2)no1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13-20-16(21-24-13)11-14-7-6-10-22(12-14)17(23)18(2,19)15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-12,19H2,1-2H3;1H
InChIKeyJFLRSWGQVOABSO-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride

2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride (PubChem CID 120591759) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
PubChem CID120591759
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
SMILESCc1nc(CC2CCCN(C(=O)C(C)(N)c3ccccc3)C2)no1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13-20-16(21-24-13)11-14-7-6-10-22(12-14)17(23)18(2,19)15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-12,19H2,1-2H3;1H
InChIKeyJFLRSWGQVOABSO-UHFFFAOYSA-N
XLogP2.46
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119775634
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 122130973
4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
2-(1-aminocyclobutyl)-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 124697978
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride (CID 120591759) is 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride is Cc1nc(CC2CCCN(C(=O)C(C)(N)c3ccccc3)C2)no1.Cl.
What is the InChIKey of 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The InChIKey is JFLRSWGQVOABSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13-20-16(21-24-13)11-14-7-6-10-22(12-14)17(23)18(2,19)15-8-4-3-5-9-15;/h3-5,8-9,14H,6-7,10-12,19H2,1-2H3;1H.
What are the key properties of 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 120591759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).