[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone

C19H26ClN3O4S — CID 146373200

IUPAC[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H26ClN3O4S/c20-17-3-1-15(2-4-17)16-5-7-23(8-6-16)28(25,26)18-13-22(14-18)19(24)21-9-11-27-12-10-21/h1-4,16,18H,5-14H2
InChIKeyXMIBMCWUBZZLTB-UHFFFAOYSA-N
MW427.95 g/mol
LogP1.99
Rot. Bonds3

About [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone

[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 146373200) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone
PubChem CID146373200
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC Name[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H26ClN3O4S/c20-17-3-1-15(2-4-17)16-5-7-23(8-6-16)28(25,26)18-13-22(14-18)19(24)21-9-11-27-12-10-21/h1-4,16,18H,5-14H2
InChIKeyXMIBMCWUBZZLTB-UHFFFAOYSA-N
XLogP1.99
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(4-Chlorobenzyl)sulfonyl]piperidin-4-yl}(morpholin-4-yl)methanone
CID 17744496
N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide
CID 22750915
1-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one
CID 23133425
N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide
CID 54552197
5-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one
CID 69962418
Tert-butyl 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146372763
[3-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 146372770
[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 146372805
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 146372942
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
CID 146372943
N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 146373057
Oxan-4-yl 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146373231

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone (CID 146373200) is [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is XMIBMCWUBZZLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4S/c20-17-3-1-15(2-4-17)16-5-7-23(8-6-16)28(25,26)18-13-22(14-18)19(24)21-9-11-27-12-10-21/h1-4,16,18H,5-14H2.
What are the key properties of [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone?
[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 427.95 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146373200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).