N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H26N2O6S — CID 90613388

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C17H26N2O6S/c1-24-15-5-4-13(10-16(15)25-2)14(20)11-18-17(21)12-6-8-19(9-7-12)26(3,22)23/h4-5,10,12,14,20H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyPUNUVFLUTBUIPT-UHFFFAOYSA-N
MW386.47 g/mol
LogP0.52
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 90613388) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID90613388
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C17H26N2O6S/c1-24-15-5-4-13(10-16(15)25-2)14(20)11-18-17(21)12-6-8-19(9-7-12)26(3,22)23/h4-5,10,12,14,20H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyPUNUVFLUTBUIPT-UHFFFAOYSA-N
XLogP0.52
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376283
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97416883
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55655582
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92675014
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 90613388) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(C(O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PUNUVFLUTBUIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-24-15-5-4-13(10-16(15)25-2)14(20)11-18-17(21)12-6-8-19(9-7-12)26(3,22)23/h4-5,10,12,14,20H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 90613388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).