(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone

C24H28N2O3S — CID 45219229

IUPAC(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3S/c1-30-22-10-6-18(7-11-22)23(27)20-3-2-12-26(17-20)24(28)19-4-8-21(9-5-19)25-13-15-29-16-14-25/h4-11,20H,2-3,12-17H2,1H3
InChIKeyXFXUBRZZGYSIBK-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.98
Rot. Bonds5

About (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone

(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone (PubChem CID 45219229) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
PubChem CID45219229
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3S/c1-30-22-10-6-18(7-11-22)23(27)20-3-2-12-26(17-20)24(28)19-4-8-21(9-5-19)25-13-15-29-16-14-25/h4-11,20H,2-3,12-17H2,1H3
InChIKeyXFXUBRZZGYSIBK-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42567720
[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 24793132
(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 129355029
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42214526
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[1-[(Z)-but-2-en-2-yl]pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 145439896
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone (CID 45219229) is (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone is CSc1ccc(C(=O)C2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is XFXUBRZZGYSIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-30-22-10-6-18(7-11-22)23(27)20-3-2-12-26(17-20)24(28)19-4-8-21(9-5-19)25-13-15-29-16-14-25/h4-11,20H,2-3,12-17H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone?
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone has a molecular weight of 424.57 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45219229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).