3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine

C22H29N3O3S — CID 91906236

IUPAC3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)25-15-10-21(11-16-25)28-20-8-13-24(14-9-20)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyPBCCFIOURMFNJR-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.92
Rot. Bonds6

About 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine

3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine (PubChem CID 91906236) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine
PubChem CID91906236
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)25-15-10-21(11-16-25)28-20-8-13-24(14-9-20)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyPBCCFIOURMFNJR-UHFFFAOYSA-N
XLogP2.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
3-(Benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3233890
9-(Benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3234057
3-(Benzenesulfonyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 3234646
9-(Benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 3235156
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
CID 13318112
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
1-(4-Methylbenzenesulfonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine
CID 2427468
3-[1-(4-Fluorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894220
N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 668758

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine (CID 91906236) is 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine is O=S(=O)(c1ccccc1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine?
The InChIKey is PBCCFIOURMFNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)25-15-10-21(11-16-25)28-20-8-13-24(14-9-20)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2.
What are the key properties of 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine?
3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine has a molecular weight of 415.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(benzenesulfonyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 91906236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).