3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C16H28N2O3S — CID 42556966

IUPAC3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCSCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-22-13-6-16(20)17-7-4-14(5-8-17)2-3-15(19)18-9-11-21-12-10-18/h14H,2-13H2,1H3
InChIKeyRQNLVPVVIKECPI-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.62
Rot. Bonds6

About 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42556966) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42556966
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCSCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-22-13-6-16(20)17-7-4-14(5-8-17)2-3-15(19)18-9-11-21-12-10-18/h14H,2-13H2,1H3
InChIKeyRQNLVPVVIKECPI-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495
1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one
CID 42195756
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
1-[3-(methylamino)pyrrolidin-1-yl]-3-methylsulfanylpropan-1-one
CID 81466966
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
1-morpholin-4-yl-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]propan-1-one
CID 28735827
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
(2-morpholin-4-yl-2-oxoethyl) 3-cyclopentylpropanoate
CID 2347988
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623
1-cyclopropyl-5-methylsulfanylpentan-3-one
CID 105107955

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 42556966) is 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is CSCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RQNLVPVVIKECPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-22-13-6-16(20)17-7-4-14(5-8-17)2-3-15(19)18-9-11-21-12-10-18/h14H,2-13H2,1H3.
What are the key properties of 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 328.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42556966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).