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

C20H30N2O3S — CID 110356279

IUPAC3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCC1CCS(=O)(=O)C1)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H30N2O3S/c23-20(10-9-17-11-14-26(24,25)16-17)21-15-19(18-7-3-1-4-8-18)22-12-5-2-6-13-22/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,23)
InChIKeyPZOOFICZNHKYBZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.54
Rot. Bonds7

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

3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide (PubChem CID 110356279) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
PubChem CID110356279
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCC1CCS(=O)(=O)C1)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H30N2O3S/c23-20(10-9-17-11-14-26(24,25)16-17)21-15-19(18-7-3-1-4-8-18)22-12-5-2-6-13-22/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,23)
InChIKeyPZOOFICZNHKYBZ-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110617737
N-(1,1-dioxothiolan-3-yl)-3-[[N'-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111325799
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 60551924
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(methanesulfonamido)propanamide
CID 118765593
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 99972818

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide (CID 110356279) is 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide is O=C(CCC1CCS(=O)(=O)C1)NCC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide?
The InChIKey is PZOOFICZNHKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-20(10-9-17-11-14-26(24,25)16-17)21-15-19(18-7-3-1-4-8-18)22-12-5-2-6-13-22/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,21,23).
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide?
3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide has a molecular weight of 378.54 g/mol, XLogP of 2.54, 7 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-(2-phenyl-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 110356279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).