4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine

C16H21N3O3S — CID 71781099

IUPAC4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyRTZBUABJCLESCY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.99
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine

4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 71781099) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID71781099
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyRTZBUABJCLESCY-UHFFFAOYSA-N
XLogP1.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzoate
CID 90493933
1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90533550
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533570
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048839
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 142200893
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine (CID 71781099) is 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is RTZBUABJCLESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)19-9-6-14(7-10-19)12-18-11-8-17-13-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 335.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 71781099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).