N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide

C15H23N3OS — CID 70768473

IUPACN-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCSCc1ccc(N2CCC(CNC(C)=O)CC2)nc1
InChIInChI=1S/C15H23N3OS/c1-12(19)16-9-13-5-7-18(8-6-13)15-4-3-14(10-17-15)11-20-2/h3-4,10,13H,5-9,11H2,1-2H3,(H,16,19)
InChIKeyRXMZCVNSKNQMIU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70768473) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID70768473
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCSCc1ccc(N2CCC(CNC(C)=O)CC2)nc1
InChIInChI=1S/C15H23N3OS/c1-12(19)16-9-13-5-7-18(8-6-13)15-4-3-14(10-17-15)11-20-2/h3-4,10,13H,5-9,11H2,1-2H3,(H,16,19)
InChIKeyRXMZCVNSKNQMIU-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 70768473) is N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is CSCc1ccc(N2CCC(CNC(C)=O)CC2)nc1.
What is the InChIKey of N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is RXMZCVNSKNQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12(19)16-9-13-5-7-18(8-6-13)15-4-3-14(10-17-15)11-20-2/h3-4,10,13H,5-9,11H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).