2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C17H24N2O3S — CID 42335959

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c20-17(12-14-8-11-23(21,22)13-14)18-15-4-6-16(7-5-15)19-9-2-1-3-10-19/h4-7,14H,1-3,8-13H2,(H,18,20)/t14-/m0/s1
InChIKeyWOKBMHPEPVDKMA-AWEZNQCLSA-N
MW336.46 g/mol
LogP2.44
Rot. Bonds4

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 42335959) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID42335959
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c20-17(12-14-8-11-23(21,22)13-14)18-15-4-6-16(7-5-15)19-9-2-1-3-10-19/h4-7,14H,1-3,8-13H2,(H,18,20)/t14-/m0/s1
InChIKeyWOKBMHPEPVDKMA-AWEZNQCLSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 71943578
4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 43649099
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 51199480
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 9207165
2-(1,1-dioxothiolan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17463040
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 42335959) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is WOKBMHPEPVDKMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(12-14-8-11-23(21,22)13-14)18-15-4-6-16(7-5-15)19-9-2-1-3-10-19/h4-7,14H,1-3,8-13H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 42335959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).