3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide

C21H32N2O3S — CID 110617737

IUPAC3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCC1CCS(=O)(=O)C1)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H32N2O3S/c24-21(10-9-19-11-14-27(25,26)17-19)22-16-20(23-12-5-2-6-13-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,22,24)
InChIKeyYNWTURSZJHQLMX-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.41
Rot. Bonds8

About 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide

3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide (PubChem CID 110617737) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
PubChem CID110617737
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCC1CCS(=O)(=O)C1)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H32N2O3S/c24-21(10-9-19-11-14-27(25,26)17-19)22-16-20(23-12-5-2-6-13-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,22,24)
InChIKeyYNWTURSZJHQLMX-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110356279
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
CID 110404018
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
CID 110417136
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide (CID 110617737) is 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide is O=C(CCC1CCS(=O)(=O)C1)NCC(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide?
The InChIKey is YNWTURSZJHQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c24-21(10-9-19-11-14-27(25,26)17-19)22-16-20(23-12-5-2-6-13-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,22,24).
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide?
3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide has a molecular weight of 392.57 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110617737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).