N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide

C19H30N2O5S — CID 55544635

IUPACN-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cc1OCCC
InChIInChI=1S/C19H30N2O5S/c1-4-12-25-17-10-9-15(14-18(17)26-13-5-2)20-19(22)16-8-6-7-11-21(16)27(3,23)24/h9-10,14,16H,4-8,11-13H2,1-3H3,(H,20,22)
InChIKeyAAMOIHFQXBZWNU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.02
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide

N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55544635) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55544635
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cc1OCCC
InChIInChI=1S/C19H30N2O5S/c1-4-12-25-17-10-9-15(14-18(17)26-13-5-2)20-19(22)16-8-6-7-11-21(16)27(3,23)24/h9-10,14,16H,4-8,11-13H2,1-3H3,(H,20,22)
InChIKeyAAMOIHFQXBZWNU-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 87026032
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
(2S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94210182
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide (CID 55544635) is N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide is CCCOc1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is AAMOIHFQXBZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-4-12-25-17-10-9-15(14-18(17)26-13-5-2)20-19(22)16-8-6-7-11-21(16)27(3,23)24/h9-10,14,16H,4-8,11-13H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).