methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate

C18H26N2O7S — CID 7618747

IUPACmethyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O7S/c1-25-15-5-4-14(12-16(15)26-2)17(21)19-8-11-28(23,24)20-9-6-13(7-10-20)18(22)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)
InChIKeyPXFLNBHRURYGNF-UHFFFAOYSA-N
MW414.48 g/mol
LogP0.65
Rot. Bonds8

About methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate

methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate (PubChem CID 7618747) has the molecular formula C18H26N2O7S and a molecular weight of 414.48 g/mol. Its IUPAC name is methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
PubChem CID7618747
Molecular FormulaC18H26N2O7S
Molecular Weight414.48 g/mol
Exact Mass414.15
IUPAC Namemethyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O7S/c1-25-15-5-4-14(12-16(15)26-2)17(21)19-8-11-28(23,24)20-9-6-13(7-10-20)18(22)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)
InChIKeyPXFLNBHRURYGNF-UHFFFAOYSA-N
XLogP0.65
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
CID 7618765
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 94778325
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate (CID 7618747) is methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate?
The InChIKey is PXFLNBHRURYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7S/c1-25-15-5-4-14(12-16(15)26-2)17(21)19-8-11-28(23,24)20-9-6-13(7-10-20)18(22)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,21).
What are the key properties of methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate?
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 7618747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).