1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

C16H26N4O4S — CID 118788211

IUPAC1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCN(C3CCS(=O)(=O)C3)CC2)no1
InChIInChI=1S/C16H26N4O4S/c1-11(2)16-18-14(19-24-16)9-17-15(21)12-3-6-20(7-4-12)13-5-8-25(22,23)10-13/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyQBJMAEAQIAKUIA-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.71
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 118788211) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID118788211
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCN(C3CCS(=O)(=O)C3)CC2)no1
InChIInChI=1S/C16H26N4O4S/c1-11(2)16-18-14(19-24-16)9-17-15(21)12-3-6-20(7-4-12)13-5-8-25(22,23)10-13/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyQBJMAEAQIAKUIA-UHFFFAOYSA-N
XLogP0.71
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide (CID 118788211) is 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide is CC(C)c1nc(CNC(=O)C2CCN(C3CCS(=O)(=O)C3)CC2)no1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QBJMAEAQIAKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(2)16-18-14(19-24-16)9-17-15(21)12-3-6-20(7-4-12)13-5-8-25(22,23)10-13/h11-13H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 118788211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).