[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone

C18H24N4O2S — CID 119396598

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
SMILESCNCC1CCCN(C(=O)c2ccccc2SCc2nc(C)no2)C1
InChIInChI=1S/C18H24N4O2S/c1-13-20-17(24-21-13)12-25-16-8-4-3-7-15(16)18(23)22-9-5-6-14(11-22)10-19-2/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3
InChIKeyUPPLLRPIJKOOFF-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.74
Rot. Bonds6

About [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone

[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone (PubChem CID 119396598) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
PubChem CID119396598
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
SMILESCNCC1CCCN(C(=O)c2ccccc2SCc2nc(C)no2)C1
InChIInChI=1S/C18H24N4O2S/c1-13-20-17(24-21-13)12-25-16-8-4-3-7-15(16)18(23)22-9-5-6-14(11-22)10-19-2/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3
InChIKeyUPPLLRPIJKOOFF-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
CID 119379161
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
CID 119623263
[4-(1-aminoethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
CID 119518567
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541145
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119540166
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
ethyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate
CID 33078699
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
N-(3-methoxypropyl)-2-[4-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
CID 55534665
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone (CID 119396598) is [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone is CNCC1CCCN(C(=O)c2ccccc2SCc2nc(C)no2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone?
The InChIKey is UPPLLRPIJKOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-20-17(24-21-13)12-25-16-8-4-3-7-15(16)18(23)22-9-5-6-14(11-22)10-19-2/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone?
[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone is sourced from PubChem (CID 119396598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).