1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone

C18H24N2O3S — CID 75838690

IUPAC1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H24N2O3S/c21-17(14-24-16-6-2-1-3-7-16)20-8-4-5-15(13-20)18(22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2
InChIKeyMWQJRLYGGMTQCZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.88
Rot. Bonds4

About 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone

1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone (PubChem CID 75838690) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
PubChem CID75838690
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H24N2O3S/c21-17(14-24-16-6-2-1-3-7-16)20-8-4-5-15(13-20)18(22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2
InChIKeyMWQJRLYGGMTQCZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-4-(2-phenylsulfanylacetyl)-1,4-oxazepane-6-carboxamide
CID 169419084
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55687640
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 30580879
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
(E)-1-[4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 43064167
2-fluoro-N-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 47018605
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone (CID 75838690) is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is MWQJRLYGGMTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17(14-24-16-6-2-1-3-7-16)20-8-4-5-15(13-20)18(22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2.
What are the key properties of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone?
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 348.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 75838690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).