2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide

C14H26N2O3S — CID 63638478

IUPAC2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
SMILESCCCN(C(=O)CC1CCS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-2-7-16(13-4-3-6-15-10-13)14(17)9-12-5-8-20(18,19)11-12/h12-13,15H,2-11H2,1H3
InChIKeyZXMSNNWZGPHVDL-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.80
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide

2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide (PubChem CID 63638478) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
PubChem CID63638478
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
SMILESCCCN(C(=O)CC1CCS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-2-7-16(13-4-3-6-15-10-13)14(17)9-12-5-8-20(18,19)11-12/h12-13,15H,2-11H2,1H3
InChIKeyZXMSNNWZGPHVDL-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 102867055
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
CID 119683492
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 122080455
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
CID 122080444
N-(azetidin-3-yl)-2-cyclohexyl-N-propylacetamide
CID 66183532
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
methyl 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]-propylamino]acetate
CID 55006150
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide (CID 63638478) is 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide is CCCN(C(=O)CC1CCS(=O)(=O)C1)C1CCCNC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide?
The InChIKey is ZXMSNNWZGPHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-7-16(13-4-3-6-15-10-13)14(17)9-12-5-8-20(18,19)11-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide has a molecular weight of 302.44 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide is sourced from PubChem (CID 63638478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).