N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 47001330

IUPACN-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-16(14-7-5-13(2)6-8-14)18-17(20)15-9-11-19(12-10-15)23(3,21)22/h5-8,15-16H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyDHTAGFWROBUSTQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.23
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47001330) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47001330
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-16(14-7-5-13(2)6-8-14)18-17(20)15-9-11-19(12-10-15)23(3,21)22/h5-8,15-16H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyDHTAGFWROBUSTQ-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 47001330) is N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DHTAGFWROBUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-16(14-7-5-13(2)6-8-14)18-17(20)15-9-11-19(12-10-15)23(3,21)22/h5-8,15-16H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47001330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).