1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide

C17H26N2O5S — CID 27256239

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-9-18-17(20)13-7-10-19(11-8-13)25(21,22)14-5-6-15(23-2)16(12-14)24-3/h5-6,12-13H,4,7-11H2,1-3H3,(H,18,20)
InChIKeyDIPVGMZGBZUXQY-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.63
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide (PubChem CID 27256239) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
PubChem CID27256239
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-9-18-17(20)13-7-10-19(11-8-13)25(21,22)14-5-6-15(23-2)16(12-14)24-3/h5-6,12-13H,4,7-11H2,1-3H3,(H,18,20)
InChIKeyDIPVGMZGBZUXQY-UHFFFAOYSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376283
1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2,4-dimethylphenyl)methyl]piperidine-4-carboxamide
CID 46587702
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(4-bromophenyl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3607128
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide (CID 27256239) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The InChIKey is DIPVGMZGBZUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-4-9-18-17(20)13-7-10-19(11-8-13)25(21,22)14-5-6-15(23-2)16(12-14)24-3/h5-6,12-13H,4,7-11H2,1-3H3,(H,18,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 27256239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).