4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine

C19H28N4O3S — CID 25284688

IUPAC4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
SMILESCOCCCn1c(CN2CCC(c3ccncc3)CC2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H28N4O3S/c1-26-13-3-10-23-18(14-21-19(23)27(2,24)25)15-22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-9,14,17H,3,6-7,10-13,15H2,1-2H3
InChIKeyWPLIAHOBFGGKGY-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.10
Rot. Bonds8

About 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine

4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine (PubChem CID 25284688) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
PubChem CID25284688
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
SMILESCOCCCn1c(CN2CCC(c3ccncc3)CC2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H28N4O3S/c1-26-13-3-10-23-18(14-21-19(23)27(2,24)25)15-22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-9,14,17H,3,6-7,10-13,15H2,1-2H3
InChIKeyWPLIAHOBFGGKGY-UHFFFAOYSA-N
XLogP2.10
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine
CID 45191314
3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 42196657
N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 45185255
1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazine
CID 30722807
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
CID 31016672
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
CID 59705532
(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
CID 25287322
2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
CID 56701590
ethyl (2S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidine-2-carboxylate
CID 42197048
2-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 45230864

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine (CID 25284688) is 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine is COCCCn1c(CN2CCC(c3ccncc3)CC2)cnc1S(C)(=O)=O.
What is the InChIKey of 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine?
The InChIKey is WPLIAHOBFGGKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-26-13-3-10-23-18(14-21-19(23)27(2,24)25)15-22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-9,14,17H,3,6-7,10-13,15H2,1-2H3.
What are the key properties of 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine?
4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine has a molecular weight of 392.53 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 25284688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).