1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C22H31ClN4O5S — CID 55485951

IUPAC1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H31ClN4O5S/c23-19-1-3-20(4-2-19)33(30,31)27-7-5-18(6-8-27)22(29)26-11-9-25(10-12-26)21(28)17-24-13-15-32-16-14-24/h1-4,18H,5-17H2
InChIKeyWXXJXONYBBDTGY-UHFFFAOYSA-N
MW499.03 g/mol
LogP0.74
Rot. Bonds5

About 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55485951) has the molecular formula C22H31ClN4O5S and a molecular weight of 499.03 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55485951
Molecular FormulaC22H31ClN4O5S
Molecular Weight499.03 g/mol
Exact Mass498.17
IUPAC Name1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H31ClN4O5S/c23-19-1-3-20(4-2-19)33(30,31)27-7-5-18(6-8-27)22(29)26-11-9-25(10-12-26)21(28)17-24-13-15-32-16-14-24/h1-4,18H,5-17H2
InChIKeyWXXJXONYBBDTGY-UHFFFAOYSA-N
XLogP0.74
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.03
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 31370396
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] oxane-4-carboxylate
CID 55375062
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 17430356
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 9117851
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55485951) is 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is WXXJXONYBBDTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O5S/c23-19-1-3-20(4-2-19)33(30,31)27-7-5-18(6-8-27)22(29)26-11-9-25(10-12-26)21(28)17-24-13-15-32-16-14-24/h1-4,18H,5-17H2.
What are the key properties of 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 499.03 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55485951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).