N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide

C15H18N4O4S — CID 43064107

IUPACN-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1
InChIInChI=1S/C15H18N4O4S/c1-16-13(21)10-4-6-18(7-5-10)12(20)9-19-15(22)23-14(17-19)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,16,21)
InChIKeyMNHATDMDYHGOAI-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.55
Rot. Bonds4

About N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide

N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 43064107) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID43064107
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1
InChIInChI=1S/C15H18N4O4S/c1-16-13(21)10-4-6-18(7-5-10)12(20)9-19-15(22)23-14(17-19)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,16,21)
InChIKeyMNHATDMDYHGOAI-UHFFFAOYSA-N
XLogP0.55
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
CID 30777028
3-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94487150
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
CID 16671716
N-methyl-N-(4-methylcyclohexyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38136010
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175
3-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 39457425
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 55860572
3-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47094529
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 36989794
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide (CID 43064107) is N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1.
What is the InChIKey of N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is MNHATDMDYHGOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-16-13(21)10-4-6-18(7-5-10)12(20)9-19-15(22)23-14(17-19)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,16,21).
What are the key properties of N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide?
N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 43064107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).