1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone

C24H30N2O2S — CID 60558203

IUPAC1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCC1CN(C2CCN(C(=O)C(Sc3ccccc3)c3ccccc3)CC2)CCO1
InChIInChI=1S/C24H30N2O2S/c1-19-18-26(16-17-28-19)21-12-14-25(15-13-21)24(27)23(20-8-4-2-5-9-20)29-22-10-6-3-7-11-22/h2-11,19,21,23H,12-18H2,1H3
InChIKeyVMYWYEGVTVUTFN-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.23
Rot. Bonds5

About 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone

1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 60558203) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID60558203
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCC1CN(C2CCN(C(=O)C(Sc3ccccc3)c3ccccc3)CC2)CCO1
InChIInChI=1S/C24H30N2O2S/c1-19-18-26(16-17-28-19)21-12-14-25(15-13-21)24(27)23(20-8-4-2-5-9-20)29-22-10-6-3-7-11-22/h2-11,19,21,23H,12-18H2,1H3
InChIKeyVMYWYEGVTVUTFN-UHFFFAOYSA-N
XLogP4.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 119372814
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196
2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
CID 56792229
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone;hydrochloride
CID 119483222
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 124850699
[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95580633
[2-(furan-2-yl)cyclopropyl]-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56820962
3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 60558203) is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone is CC1CN(C2CCN(C(=O)C(Sc3ccccc3)c3ccccc3)CC2)CCO1.
What is the InChIKey of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is VMYWYEGVTVUTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-19-18-26(16-17-28-19)21-12-14-25(15-13-21)24(27)23(20-8-4-2-5-9-20)29-22-10-6-3-7-11-22/h2-11,19,21,23H,12-18H2,1H3.
What are the key properties of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 410.58 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 60558203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).