N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide

C19H25N3O3S — CID 47083044

IUPACN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)21-17-6-4-12-22(14-17)13-16-7-9-19(10-8-16)25-15-18-5-2-3-11-20-18/h2-3,5,7-11,17,21H,4,6,12-15H2,1H3
InChIKeyXPPMCXONUKBRAN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.17
Rot. Bonds7

About N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide

N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 47083044) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide
PubChem CID47083044
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)21-17-6-4-12-22(14-17)13-16-7-9-19(10-8-16)25-15-18-5-2-3-11-20-18/h2-3,5,7-11,17,21H,4,6,12-15H2,1H3
InChIKeyXPPMCXONUKBRAN-UHFFFAOYSA-N
XLogP2.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide (CID 47083044) is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is XPPMCXONUKBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-26(23,24)21-17-6-4-12-22(14-17)13-16-7-9-19(10-8-16)25-15-18-5-2-3-11-20-18/h2-3,5,7-11,17,21H,4,6,12-15H2,1H3.
What are the key properties of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide?
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47083044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).