4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine

C17H27N3O3S — CID 171142333

IUPAC4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine
SMILESCCCS(=O)(=O)N1CCC(N2CC(OC)C2c2ccncc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-12-24(21,22)19-10-6-15(7-11-19)20-13-16(23-2)17(20)14-4-8-18-9-5-14/h4-5,8-9,15-17H,3,6-7,10-13H2,1-2H3
InChIKeyRLDWISIGNOXOTQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.66
Rot. Bonds6

About 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine

4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine (PubChem CID 171142333) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine
PubChem CID171142333
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine
SMILESCCCS(=O)(=O)N1CCC(N2CC(OC)C2c2ccncc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-12-24(21,22)19-10-6-15(7-11-19)20-13-16(23-2)17(20)14-4-8-18-9-5-14/h4-5,8-9,15-17H,3,6-7,10-13H2,1-2H3
InChIKeyRLDWISIGNOXOTQ-UHFFFAOYSA-N
XLogP1.66
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-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-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
CID 156610743
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
CID 171142299
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142320
(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-propylsulfonylpiperidine
CID 124831728
1-propylsulfonyl-4-pyrazol-1-ylpiperidine
CID 110871195
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
(3R,4S)-3-(2-methoxyethoxy)-1-(1-methylsulfonylpiperidin-4-yl)-4-pyridin-4-ylazetidin-2-one
CID 91911570
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine?
The IUPAC name of 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine (CID 171142333) is 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine.
What is the SMILES notation for 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine?
The canonical SMILES for 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine is CCCS(=O)(=O)N1CCC(N2CC(OC)C2c2ccncc2)CC1.
What is the InChIKey of 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine?
The InChIKey is RLDWISIGNOXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-12-24(21,22)19-10-6-15(7-11-19)20-13-16(23-2)17(20)14-4-8-18-9-5-14/h4-5,8-9,15-17H,3,6-7,10-13H2,1-2H3.
What are the key properties of 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine?
4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine has a molecular weight of 353.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine is sourced from PubChem (CID 171142333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).