[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C22H31F2N3O4S — CID 55735748

IUPAC[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C22H31F2N3O4S/c23-20-2-1-19(15-21(20)24)32(29,30)27-9-5-18(6-10-27)22(28)26-7-3-17(4-8-26)16-25-11-13-31-14-12-25/h1-2,15,17-18H,3-14,16H2
InChIKeyZMATYCUSRFGNQH-UHFFFAOYSA-N
MW471.57 g/mol
LogP1.94
Rot. Bonds5

About [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 55735748) has the molecular formula C22H31F2N3O4S and a molecular weight of 471.57 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID55735748
Molecular FormulaC22H31F2N3O4S
Molecular Weight471.57 g/mol
Exact Mass471.20
IUPAC Name[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C22H31F2N3O4S/c23-20-2-1-19(15-21(20)24)32(29,30)27-9-5-18(6-10-27)22(28)26-7-3-17(4-8-26)16-25-11-13-31-14-12-25/h1-2,15,17-18H,3-14,16H2
InChIKeyZMATYCUSRFGNQH-UHFFFAOYSA-N
XLogP1.94
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
US10858373, Example 2
CID 135238398
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 134143396
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1090957
US10858373, Example 4
CID 135238511
[1-(4-Bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 2295145
4-fluoro-N-{[4-(morpholin-4-ylcarbonyl)cyclohexyl]methyl}benzenesulfonamide
CID 3467300
1-[(4-fluorophenyl)sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 6462628

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 55735748) is [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZMATYCUSRFGNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O4S/c23-20-2-1-19(15-21(20)24)32(29,30)27-9-5-18(6-10-27)22(28)26-7-3-17(4-8-26)16-25-11-13-31-14-12-25/h1-2,15,17-18H,3-14,16H2.
What are the key properties of [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 471.57 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55735748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).