N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid

C15H23N5O7S — CID 154914145

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid
SMILESCC(=O)Nc1nonc1NC(=O)C1CCN(C2CCS(=O)(=O)C2)CC1.O=CO
InChIInChI=1S/C14H21N5O5S.CH2O2/c1-9(20)15-12-13(18-24-17-12)16-14(21)10-2-5-19(6-3-10)11-4-7-25(22,23)8-11;2-1-3/h10-11H,2-8H2,1H3,(H,15,17,20)(H,16,18,21);1H,(H,2,3)
InChIKeySYKOEPCXZONYIK-UHFFFAOYSA-N
MW417.44 g/mol
LogP-0.43
Rot. Bonds4

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid (PubChem CID 154914145) has the molecular formula C15H23N5O7S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid
PubChem CID154914145
Molecular FormulaC15H23N5O7S
Molecular Weight417.44 g/mol
Exact Mass417.13
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid
SMILESCC(=O)Nc1nonc1NC(=O)C1CCN(C2CCS(=O)(=O)C2)CC1.O=CO
InChIInChI=1S/C14H21N5O5S.CH2O2/c1-9(20)15-12-13(18-24-17-12)16-14(21)10-2-5-19(6-3-10)11-4-7-25(22,23)8-11;2-1-3/h10-11H,2-8H2,1H3,(H,15,17,20)(H,16,18,21);1H,(H,2,3)
InChIKeySYKOEPCXZONYIK-UHFFFAOYSA-N
XLogP-0.43
TPSA171.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid (CID 154914145) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid is CC(=O)Nc1nonc1NC(=O)C1CCN(C2CCS(=O)(=O)C2)CC1.O=CO.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid?
The InChIKey is SYKOEPCXZONYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5S.CH2O2/c1-9(20)15-12-13(18-24-17-12)16-14(21)10-2-5-19(6-3-10)11-4-7-25(22,23)8-11;2-1-3/h10-11H,2-8H2,1H3,(H,15,17,20)(H,16,18,21);1H,(H,2,3).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid has a molecular weight of 417.44 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 154914145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).