1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C23H30FN3O4S — CID 146443146

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H30FN3O4S/c1-26(2)15-16-31-20-7-9-21(10-8-20)32(29,30)27-13-11-18(12-14-27)23(28)25-17-19-5-3-4-6-22(19)24/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyFHWGXPRBWHEQHQ-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.48
Rot. Bonds9

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 146443146) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID146443146
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H30FN3O4S/c1-26(2)15-16-31-20-7-9-21(10-8-20)32(29,30)27-13-11-18(12-14-27)23(28)25-17-19-5-3-4-6-22(19)24/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyFHWGXPRBWHEQHQ-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide 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

1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
N-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 78781141
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(benzenesulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 92535844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 146443146) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is CN(C)CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FHWGXPRBWHEQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-26(2)15-16-31-20-7-9-21(10-8-20)32(29,30)27-13-11-18(12-14-27)23(28)25-17-19-5-3-4-6-22(19)24/h3-10,18H,11-17H2,1-2H3,(H,25,28).
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 146443146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).