1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one

C16H28N2O2S — CID 42195756

IUPAC1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN([C@H]2CCSC2)CC1)N1CCOCC1
InChIInChI=1S/C16H28N2O2S/c19-16(18-8-10-20-11-9-18)2-1-14-3-6-17(7-4-14)15-5-12-21-13-15/h14-15H,1-13H2/t15-/m0/s1
InChIKeyCSXUYXGTTGGPBZ-HNNXBMFYSA-N
MW312.48 g/mol
LogP1.84
Rot. Bonds4

About 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one

1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one (PubChem CID 42195756) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one
PubChem CID42195756
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN([C@H]2CCSC2)CC1)N1CCOCC1
InChIInChI=1S/C16H28N2O2S/c19-16(18-8-10-20-11-9-18)2-1-14-3-6-17(7-4-14)15-5-12-21-13-15/h14-15H,1-13H2/t15-/m0/s1
InChIKeyCSXUYXGTTGGPBZ-HNNXBMFYSA-N
XLogP1.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
3-[1-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 25382504
3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91919085
3,3-dimethyl-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]butan-1-one
CID 134160509
oxan-4-yl-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160460
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
CID 103892734
cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
CID 126853096
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
3-[1-(thiolan-3-yl)piperidin-4-yl]oxypropanoic acid
CID 65065480
(2-morpholin-4-yl-2-oxoethyl) 3-cyclopentylpropanoate
CID 2347988

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one (CID 42195756) is 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one is O=C(CCC1CCN([C@H]2CCSC2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one?
The InChIKey is CSXUYXGTTGGPBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c19-16(18-8-10-20-11-9-18)2-1-14-3-6-17(7-4-14)15-5-12-21-13-15/h14-15H,1-13H2/t15-/m0/s1.
What are the key properties of 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one?
1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one has a molecular weight of 312.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 42195756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).