1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol

C19H30N4O2S — CID 86895118

IUPAC1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CN(C)CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H30N4O2S/c1-15(24)13-23-10-7-16(8-11-23)14-22(2)9-3-6-18-20-19(21-25-18)17-5-4-12-26-17/h4-5,12,15-16,24H,3,6-11,13-14H2,1-2H3
InChIKeyVLYMCFHCGAGCOV-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.76
Rot. Bonds9

About 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 86895118) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID86895118
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CN(C)CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H30N4O2S/c1-15(24)13-23-10-7-16(8-11-23)14-22(2)9-3-6-18-20-19(21-25-18)17-5-4-12-26-17/h4-5,12,15-16,24H,3,6-11,13-14H2,1-2H3
InChIKeyVLYMCFHCGAGCOV-UHFFFAOYSA-N
XLogP2.76
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
N-(3-methylbutan-2-yl)-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]cyclopropanamine
CID 60504043
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189
N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 134052194
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86874372
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
1-[4-[[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86895112
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 42923902
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111488051
1-[N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 51106348

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 86895118) is 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC(CN(C)CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is VLYMCFHCGAGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-15(24)13-23-10-7-16(8-11-23)14-22(2)9-3-6-18-20-19(21-25-18)17-5-4-12-26-17/h4-5,12,15-16,24H,3,6-11,13-14H2,1-2H3.
What are the key properties of 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 378.54 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 86895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).