[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C16H25ClN4O2 — CID 119343470

IUPAC[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H24N4O2.ClH/c21-16(13-5-1-2-8-17-13)20-9-3-4-12(10-20)14-18-15(22-19-14)11-6-7-11;/h11-13,17H,1-10H2;1H
InChIKeyCSMWHVVDGSVUHE-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.22
Rot. Bonds3

About [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119343470) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119343470
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H24N4O2.ClH/c21-16(13-5-1-2-8-17-13)20-9-3-4-12(10-20)14-18-15(22-19-14)11-6-7-11;/h11-13,17H,1-10H2;1H
InChIKeyCSMWHVVDGSVUHE-UHFFFAOYSA-N
XLogP2.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride with MolForge

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Related Compounds

2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
CID 129467476
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119818447
[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 124697986
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119343470) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCCN1)N1CCCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is CSMWHVVDGSVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c21-16(13-5-1-2-8-17-13)20-9-3-4-12(10-20)14-18-15(22-19-14)11-6-7-11;/h11-13,17H,1-10H2;1H.
What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119343470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).