2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide

C23H34N2O3S — CID 110233894

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCN(CC2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C23H34N2O3S/c26-22(16-19-10-15-29(27,28)17-19)24-21-8-13-25(14-9-21)18-23(11-4-5-12-23)20-6-2-1-3-7-20/h1-3,6-7,19,21H,4-5,8-18H2,(H,24,26)
InChIKeyKEYDDMUBESCOKG-UHFFFAOYSA-N
MW418.60 g/mol
LogP2.90
Rot. Bonds6

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

2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide (PubChem CID 110233894) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide
PubChem CID110233894
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCN(CC2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C23H34N2O3S/c26-22(16-19-10-15-29(27,28)17-19)24-21-8-13-25(14-9-21)18-23(11-4-5-12-23)20-6-2-1-3-7-20/h1-3,6-7,19,21H,4-5,8-18H2,(H,24,26)
InChIKeyKEYDDMUBESCOKG-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 75261396
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294828
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
CID 92595353
[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559345
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
N-[1-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 95853165
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-pyridin-2-ylacetamide
CID 92577364
3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026321
1-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-3-[(1-phenylcyclobutyl)methyl]guanidine;hydroiodide
CID 111855047

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide (CID 110233894) is 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide is O=C(CC1CCS(=O)(=O)C1)NC1CCN(CC2(c3ccccc3)CCCC2)CC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is KEYDDMUBESCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3S/c26-22(16-19-10-15-29(27,28)17-19)24-21-8-13-25(14-9-21)18-23(11-4-5-12-23)20-6-2-1-3-7-20/h1-3,6-7,19,21H,4-5,8-18H2,(H,24,26).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 418.60 g/mol, XLogP of 2.90, 6 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-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110233894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).