2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide

C18H24N2O3S — CID 99104062

IUPAC2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide
SMILESCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H24N2O3S/c1-19(18(21)12-15-9-11-24(22,23)14-15)17-8-5-10-20(13-17)16-6-3-2-4-7-16/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17+/m0/s1
InChIKeyRDBDOCRVTZUKTL-DOTOQJQBSA-N
MW348.47 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide

2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide (PubChem CID 99104062) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide
PubChem CID99104062
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide
SMILESCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H24N2O3S/c1-19(18(21)12-15-9-11-24(22,23)14-15)17-8-5-10-20(13-17)16-6-3-2-4-7-16/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17+/m0/s1
InChIKeyRDBDOCRVTZUKTL-DOTOQJQBSA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide
CID 96550391
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889652
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119958110
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide (CID 99104062) is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide is CN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide?
The InChIKey is RDBDOCRVTZUKTL-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-19(18(21)12-15-9-11-24(22,23)14-15)17-8-5-10-20(13-17)16-6-3-2-4-7-16/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide?
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide is sourced from PubChem (CID 99104062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).