5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine

C18H23N3OS — CID 96574780

IUPAC5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESCSCc1ccc(N2CCC[C@@H](OCc3cccnc3)C2)nc1
InChIInChI=1S/C18H23N3OS/c1-23-14-16-6-7-18(20-11-16)21-9-3-5-17(12-21)22-13-15-4-2-8-19-10-15/h2,4,6-8,10-11,17H,3,5,9,12-14H2,1H3/t17-/m1/s1
InChIKeyAEXFJCRLPAVOAN-QGZVFWFLSA-N
MW329.47 g/mol
LogP3.53
Rot. Bonds6

About 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine

5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine (PubChem CID 96574780) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
PubChem CID96574780
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESCSCc1ccc(N2CCC[C@@H](OCc3cccnc3)C2)nc1
InChIInChI=1S/C18H23N3OS/c1-23-14-16-6-7-18(20-11-16)21-9-3-5-17(12-21)22-13-15-4-2-8-19-10-15/h2,4,6-8,10-11,17H,3,5,9,12-14H2,1H3/t17-/m1/s1
InChIKeyAEXFJCRLPAVOAN-QGZVFWFLSA-N
XLogP3.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
5-(methylsulfanylmethyl)-2-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 96582044
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72876721
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146
3-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]oxymethyl]pyridine
CID 95228930
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine (CID 96574780) is 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine is CSCc1ccc(N2CCC[C@@H](OCc3cccnc3)C2)nc1.
What is the InChIKey of 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The InChIKey is AEXFJCRLPAVOAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-23-14-16-6-7-18(20-11-16)21-9-3-5-17(12-21)22-13-15-4-2-8-19-10-15/h2,4,6-8,10-11,17H,3,5,9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine has a molecular weight of 329.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 96574780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).