1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine

C20H32N2O3S — CID 142200893

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-25-19-5-7-20(8-6-19)26(23,24)22-15-11-18(12-16-22)4-2-3-17-9-13-21-14-10-17/h5-8,17-18,21H,2-4,9-16H2,1H3
InChIKeyVCMAAIYLODPHPT-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.27
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine

1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine (PubChem CID 142200893) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
PubChem CID142200893
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-25-19-5-7-20(8-6-19)26(23,24)22-15-11-18(12-16-22)4-2-3-17-9-13-21-14-10-17/h5-8,17-18,21H,2-4,9-16H2,1H3
InChIKeyVCMAAIYLODPHPT-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679
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-(2-methylpropoxy)piperidine
CID 87024962
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine (CID 142200893) is 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine is COc1ccc(S(=O)(=O)N2CCC(CCCC3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
The InChIKey is VCMAAIYLODPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-25-19-5-7-20(8-6-19)26(23,24)22-15-11-18(12-16-22)4-2-3-17-9-13-21-14-10-17/h5-8,17-18,21H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine?
1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine has a molecular weight of 380.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine is sourced from PubChem (CID 142200893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).