N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide

C17H26N2O3S — CID 42949877

IUPACN-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-3-7-16(14-8-5-4-6-9-14)17(20)18-15-10-12-19(13-11-15)23(2,21)22/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20)
InChIKeyHBINHNIDRWIJJP-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.11
Rot. Bonds6

About N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide

N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide (PubChem CID 42949877) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide
PubChem CID42949877
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-3-7-16(14-8-5-4-6-9-14)17(20)18-15-10-12-19(13-11-15)23(2,21)22/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20)
InChIKeyHBINHNIDRWIJJP-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide 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-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide (CID 42949877) is N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide is CCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide?
The InChIKey is HBINHNIDRWIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-7-16(14-8-5-4-6-9-14)17(20)18-15-10-12-19(13-11-15)23(2,21)22/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide?
N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide has a molecular weight of 338.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpentanamide is sourced from PubChem (CID 42949877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).