N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C14H20ClN3O4S — CID 71798950

IUPACN-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20ClN3O4S/c1-17(23(2,20)21)10-14(19)18-7-5-12(6-8-18)22-13-4-3-11(15)9-16-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyAMECBJYFYQBFBS-UHFFFAOYSA-N
MW361.85 g/mol
LogP1.00
Rot. Bonds5

About N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 71798950) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID71798950
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC NameN-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20ClN3O4S/c1-17(23(2,20)21)10-14(19)18-7-5-12(6-8-18)22-13-4-3-11(15)9-16-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyAMECBJYFYQBFBS-UHFFFAOYSA-N
XLogP1.00
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 71798950) is N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is AMECBJYFYQBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-17(23(2,20)21)10-14(19)18-7-5-12(6-8-18)22-13-4-3-11(15)9-16-13/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71798950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).