[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone

C21H26FN3O4S — CID 55635007

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O4S/c1-23-14-18(30(27,28)25-9-3-2-4-10-25)13-19(23)21(26)24-11-12-29-20(15-24)16-5-7-17(22)8-6-16/h5-8,13-14,20H,2-4,9-12,15H2,1H3
InChIKeyFOHUNMJFUOYLLJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.55
Rot. Bonds4

About [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone (PubChem CID 55635007) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
PubChem CID55635007
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O4S/c1-23-14-18(30(27,28)25-9-3-2-4-10-25)13-19(23)21(26)24-11-12-29-20(15-24)16-5-7-17(22)8-6-16/h5-8,13-14,20H,2-4,9-12,15H2,1H3
InChIKeyFOHUNMJFUOYLLJ-UHFFFAOYSA-N
XLogP2.55
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 55564425
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578457
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578456
N-(2,5-difluorophenyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 52837374
[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55947377
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 42949946
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55474104
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone (CID 55635007) is [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The InChIKey is FOHUNMJFUOYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-23-14-18(30(27,28)25-9-3-2-4-10-25)13-19(23)21(26)24-11-12-29-20(15-24)16-5-7-17(22)8-6-16/h5-8,13-14,20H,2-4,9-12,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone has a molecular weight of 435.52 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone is sourced from PubChem (CID 55635007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).