1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine

C20H32N2O2S — CID 3146306

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine
SMILESCc1ccc(S(=O)(=O)CC(CN2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-18-8-10-20(11-9-18)25(23,24)17-19(22-14-6-3-7-15-22)16-21-12-4-2-5-13-21/h8-11,19H,2-7,12-17H2,1H3
InChIKeyBPKDNYUQUUDNJX-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.11
Rot. Bonds6

About 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine

1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine (PubChem CID 3146306) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine
PubChem CID3146306
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine
SMILESCc1ccc(S(=O)(=O)CC(CN2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C20H32N2O2S/c1-18-8-10-20(11-9-18)25(23,24)17-19(22-14-6-3-7-15-22)16-21-12-4-2-5-13-21/h8-11,19H,2-7,12-17H2,1H3
InChIKeyBPKDNYUQUUDNJX-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine (CID 3146306) is 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine is Cc1ccc(S(=O)(=O)CC(CN2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine?
The InChIKey is BPKDNYUQUUDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-18-8-10-20(11-9-18)25(23,24)17-19(22-14-6-3-7-15-22)16-21-12-4-2-5-13-21/h8-11,19H,2-7,12-17H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine?
1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine has a molecular weight of 364.56 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpropyl]piperidine is sourced from PubChem (CID 3146306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).