4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide

C22H32N4O5S — CID 66817203

IUPAC4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(O)CC2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C22H32N4O5S/c1-15-13-17(20(28)25-8-3-18(27)4-9-25)14-16(2)19(15)5-12-32(30,31)26-10-6-22(24,7-11-26)21(23)29/h5,12-14,18,27H,3-4,6-11,24H2,1-2H3,(H2,23,29)
InChIKeyFJORPXPPUZEUCB-UHFFFAOYSA-N
MW464.59 g/mol
LogP0.48
Rot. Bonds5

About 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide

4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide (PubChem CID 66817203) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
PubChem CID66817203
Molecular FormulaC22H32N4O5S
Molecular Weight464.59 g/mol
Exact Mass464.21
IUPAC Name4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(O)CC2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C22H32N4O5S/c1-15-13-17(20(28)25-8-3-18(27)4-9-25)14-16(2)19(15)5-12-32(30,31)26-10-6-22(24,7-11-26)21(23)29/h5,12-14,18,27H,3-4,6-11,24H2,1-2H3,(H2,23,29)
InChIKeyFJORPXPPUZEUCB-UHFFFAOYSA-N
XLogP0.48
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]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

4-amino-1-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonylpiperidine-4-carboxamide
CID 66817202
4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
CID 66817321
8-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-2-sulfanylidene-1,8-diazaspiro[4.5]decan-4-one
CID 157441835
1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidin-4-one
CID 77192720
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-8-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817196
1-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]piperidin-4-one
CID 77192736
8-[(E)-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2,6-dimethylphenyl]ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817110
2-(3,4-dichlorophenyl)-8-[(E)-2-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817159
8-[(E)-2-[2,6-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]ethenyl]sulfonyl-2-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66816129
8-[2-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]-2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817144
8-[2-[4-(3-fluoropyrrolidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817927
2-(4-fluoro-2,3-dimethylphenyl)-8-[(E)-2-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817810

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide (CID 66817203) is 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(O)CC2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1.
What is the InChIKey of 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The InChIKey is FJORPXPPUZEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-15-13-17(20(28)25-8-3-18(27)4-9-25)14-16(2)19(15)5-12-32(30,31)26-10-6-22(24,7-11-26)21(23)29/h5,12-14,18,27H,3-4,6-11,24H2,1-2H3,(H2,23,29).
What are the key properties of 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 66817203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).