N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

C24H30N2O4S — CID 45207748

IUPACN-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c27-24(25-21-13-17-31(28,29)18-21)20-6-8-22(9-7-20)30-23-11-15-26(16-12-23)14-10-19-4-2-1-3-5-19/h1-9,21,23H,10-18H2,(H,25,27)
InChIKeyRQXOKBKZZRFBOP-UHFFFAOYSA-N
MW442.58 g/mol
LogP2.69
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45207748) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
PubChem CID45207748
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c27-24(25-21-13-17-31(28,29)18-21)20-6-8-22(9-7-20)30-23-11-15-26(16-12-23)14-10-19-4-2-1-3-5-19/h1-9,21,23H,10-18H2,(H,25,27)
InChIKeyRQXOKBKZZRFBOP-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45196587
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (CID 45207748) is N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is RQXOKBKZZRFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c27-24(25-21-13-17-31(28,29)18-21)20-6-8-22(9-7-20)30-23-11-15-26(16-12-23)14-10-19-4-2-1-3-5-19/h1-9,21,23H,10-18H2,(H,25,27).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 442.58 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45207748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).