N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C16H23ClN4O2S — CID 120599434

IUPACN-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCc2nc(-c3cccs3)no2)CCN1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-11-10-12(7-8-17-11)18-14(21)5-2-6-15-19-16(20-22-15)13-4-3-9-23-13;/h3-4,9,11-12,17H,2,5-8,10H2,1H3,(H,18,21);1H
InChIKeyBCZVTUHZMQVWKJ-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.80
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 120599434) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID120599434
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC NameN-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCc2nc(-c3cccs3)no2)CCN1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-11-10-12(7-8-17-11)18-14(21)5-2-6-15-19-16(20-22-15)13-4-3-9-23-13;/h3-4,9,11-12,17H,2,5-8,10H2,1H3,(H,18,21);1H
InChIKeyBCZVTUHZMQVWKJ-UHFFFAOYSA-N
XLogP2.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
N-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
N-(1-methylsulfonylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86989875
N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119474585
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47031549
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 112824013
N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 97018156
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
N-(3-cyclohexylpropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46461523
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 120599434) is N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CC1CC(NC(=O)CCCc2nc(-c3cccs3)no2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is BCZVTUHZMQVWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-11-10-12(7-8-17-11)18-14(21)5-2-6-15-19-16(20-22-15)13-4-3-9-23-13;/h3-4,9,11-12,17H,2,5-8,10H2,1H3,(H,18,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 120599434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).