3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide

C19H28N2O5S — CID 46942459

IUPAC3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H28N2O5S/c1-3-12-27(24,25)20-18(23)19(2)10-7-11-21(15-19)17(22)14-26-13-16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23)
InChIKeyHPEXEWIZBMKSQB-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.69
Rot. Bonds8

About 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide

3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide (PubChem CID 46942459) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide
PubChem CID46942459
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H28N2O5S/c1-3-12-27(24,25)20-18(23)19(2)10-7-11-21(15-19)17(22)14-26-13-16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23)
InChIKeyHPEXEWIZBMKSQB-UHFFFAOYSA-N
XLogP1.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide (CID 46942459) is 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)NC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is HPEXEWIZBMKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-12-27(24,25)20-18(23)19(2)10-7-11-21(15-19)17(22)14-26-13-16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide?
3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46942459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).