2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide

C16H23N3O3S — CID 71943578

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H23N3O3S/c20-16(10-13-6-9-23(21,22)12-13)18-14-4-5-15(17-11-14)19-7-2-1-3-8-19/h4-5,11,13H,1-3,6-10,12H2,(H,18,20)
InChIKeySTIZCUIXOPRDEJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.84
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide (PubChem CID 71943578) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
PubChem CID71943578
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H23N3O3S/c20-16(10-13-6-9-23(21,22)12-13)18-14-4-5-15(17-11-14)19-7-2-1-3-8-19/h4-5,11,13H,1-3,6-10,12H2,(H,18,20)
InChIKeySTIZCUIXOPRDEJ-UHFFFAOYSA-N
XLogP1.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 43649099
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 166259419
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide (CID 71943578) is 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is STIZCUIXOPRDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(10-13-6-9-23(21,22)12-13)18-14-4-5-15(17-11-14)19-7-2-1-3-8-19/h4-5,11,13H,1-3,6-10,12H2,(H,18,20).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 71943578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).