2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C22H31FN4O5S — CID 55743877

IUPAC2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H31FN4O5S/c23-20-5-3-18(4-6-20)16-21(28)25-7-1-2-19(17-25)22(29)24-8-10-26(11-9-24)33(30,31)27-12-14-32-15-13-27/h3-6,19H,1-2,7-17H2
InChIKeyGWSRWXJYCULXCG-UHFFFAOYSA-N
MW482.58 g/mol
LogP0.33
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 55743877) has the molecular formula C22H31FN4O5S and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID55743877
Molecular FormulaC22H31FN4O5S
Molecular Weight482.58 g/mol
Exact Mass482.20
IUPAC Name2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H31FN4O5S/c23-20-5-3-18(4-6-20)16-21(28)25-7-1-2-19(17-25)22(29)24-8-10-26(11-9-24)33(30,31)27-12-14-32-15-13-27/h3-6,19H,1-2,7-17H2
InChIKeyGWSRWXJYCULXCG-UHFFFAOYSA-N
XLogP0.33
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134800449
2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
CID 124726986
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 124728676
1-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55787146
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 55743877) is 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is GWSRWXJYCULXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O5S/c23-20-5-3-18(4-6-20)16-21(28)25-7-1-2-19(17-25)22(29)24-8-10-26(11-9-24)33(30,31)27-12-14-32-15-13-27/h3-6,19H,1-2,7-17H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 482.58 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).