N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide

C20H27N3O3S — CID 90952883

IUPACN-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-27(25,26)22-19(17-6-3-2-4-7-17)14-16-9-12-23(13-10-16)15-18-8-5-11-21-20(18)24/h2-8,11,16,19,22H,9-10,12-15H2,1H3,(H,21,24)
InChIKeyMVALVHCUJJVJKN-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide

N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide (PubChem CID 90952883) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide
PubChem CID90952883
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-27(25,26)22-19(17-6-3-2-4-7-17)14-16-9-12-23(13-10-16)15-18-8-5-11-21-20(18)24/h2-8,11,16,19,22H,9-10,12-15H2,1H3,(H,21,24)
InChIKeyMVALVHCUJJVJKN-UHFFFAOYSA-N
XLogP2.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide 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-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide (CID 90952883) is N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide is CS(=O)(=O)NC(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide?
The InChIKey is MVALVHCUJJVJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-27(25,26)22-19(17-6-3-2-4-7-17)14-16-9-12-23(13-10-16)15-18-8-5-11-21-20(18)24/h2-8,11,16,19,22H,9-10,12-15H2,1H3,(H,21,24).
What are the key properties of N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide?
N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 90952883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).