4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride

C16H23ClN4O2S — CID 120858346

IUPAC4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1csc(-c2noc(C3COCCN3CC3CCCNC3)n2)c1
InChIInChI=1S/C16H22N4O2S.ClH/c1-3-12(9-17-5-1)10-20-6-7-21-11-13(20)16-18-15(19-22-16)14-4-2-8-23-14;/h2,4,8,12-13,17H,1,3,5-7,9-11H2;1H
InChIKeyRTXDGLRIIXYLGK-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.59
Rot. Bonds4

About 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride

4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (PubChem CID 120858346) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
PubChem CID120858346
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1csc(-c2noc(C3COCCN3CC3CCCNC3)n2)c1
InChIInChI=1S/C16H22N4O2S.ClH/c1-3-12(9-17-5-1)10-20-6-7-21-11-13(20)16-18-15(19-22-16)14-4-2-8-23-14;/h2,4,8,12-13,17H,1,3,5-7,9-11H2;1H
InChIKeyRTXDGLRIIXYLGK-UHFFFAOYSA-N
XLogP2.59
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride with MolForge

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Related Compounds

5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
CID 167927950
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
4-(piperidin-3-ylmethyl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 120856308
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 62734713
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 100763732
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
CID 119037790

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The IUPAC name of 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (CID 120858346) is 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is Cl.c1csc(-c2noc(C3COCCN3CC3CCCNC3)n2)c1.
What is the InChIKey of 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The InChIKey is RTXDGLRIIXYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-3-12(9-17-5-1)10-20-6-7-21-11-13(20)16-18-15(19-22-16)14-4-2-8-23-14;/h2,4,8,12-13,17H,1,3,5-7,9-11H2;1H.
What are the key properties of 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 120858346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).