1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one

C20H29ClN2O4S — CID 23133425

IUPAC1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one
SMILESO=C(CCCN1CCOCC1)CS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O4S/c21-19-5-3-17(4-6-19)18-7-10-23(11-8-18)28(25,26)16-20(24)2-1-9-22-12-14-27-15-13-22/h3-6,18H,1-2,7-16H2
InChIKeyONEXXGAUORNHOD-UHFFFAOYSA-N
MW428.98 g/mol
LogP2.53
Rot. Bonds8

About 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one

1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one (PubChem CID 23133425) has the molecular formula C20H29ClN2O4S and a molecular weight of 428.98 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one
PubChem CID23133425
Molecular FormulaC20H29ClN2O4S
Molecular Weight428.98 g/mol
Exact Mass428.15
IUPAC Name1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one
SMILESO=C(CCCN1CCOCC1)CS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O4S/c21-19-5-3-17(4-6-19)18-7-10-23(11-8-18)28(25,26)16-20(24)2-1-9-22-12-14-27-15-13-22/h3-6,18H,1-2,7-16H2
InChIKeyONEXXGAUORNHOD-UHFFFAOYSA-N
XLogP2.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.98
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one?
The IUPAC name of 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one (CID 23133425) is 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one is O=C(CCCN1CCOCC1)CS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one?
The InChIKey is ONEXXGAUORNHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O4S/c21-19-5-3-17(4-6-19)18-7-10-23(11-8-18)28(25,26)16-20(24)2-1-9-22-12-14-27-15-13-22/h3-6,18H,1-2,7-16H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one?
1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one has a molecular weight of 428.98 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-5-morpholin-4-ylpentan-2-one is sourced from PubChem (CID 23133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).