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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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).