N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide

C23H38N4O4S — CID 51129331

IUPACN,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC(CN3CCC(C)CC3)C2)c1
InChIInChI=1S/C23H38N4O4S/c1-4-27(5-2)32(30,31)21-8-9-22(28)26(17-21)18-23(29)25-12-6-7-20(16-25)15-24-13-10-19(3)11-14-24/h8-9,17,19-20H,4-7,10-16,18H2,1-3H3
InChIKeyWHUNURNZGQYTLJ-UHFFFAOYSA-N
MW466.65 g/mol
LogP1.85
Rot. Bonds8

About N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide

N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 51129331) has the molecular formula C23H38N4O4S and a molecular weight of 466.65 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
PubChem CID51129331
Molecular FormulaC23H38N4O4S
Molecular Weight466.65 g/mol
Exact Mass466.26
IUPAC NameN,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC(CN3CCC(C)CC3)C2)c1
InChIInChI=1S/C23H38N4O4S/c1-4-27(5-2)32(30,31)21-8-9-22(28)26(17-21)18-23(29)25-12-6-7-20(16-25)15-24-13-10-19(3)11-14-24/h8-9,17,19-20H,4-7,10-16,18H2,1-3H3
InChIKeyWHUNURNZGQYTLJ-UHFFFAOYSA-N
XLogP1.85
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide (CID 51129331) is N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC(CN3CCC(C)CC3)C2)c1.
What is the InChIKey of N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is WHUNURNZGQYTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4S/c1-4-27(5-2)32(30,31)21-8-9-22(28)26(17-21)18-23(29)25-12-6-7-20(16-25)15-24-13-10-19(3)11-14-24/h8-9,17,19-20H,4-7,10-16,18H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 466.65 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 51129331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).