1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C17H31N3O2 — CID 3229561

IUPAC1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3
InChIKeyGUMLQMBJLFRNDQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.18
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 3229561) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID3229561
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3
InChIKeyGUMLQMBJLFRNDQ-UHFFFAOYSA-N
XLogP1.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
3-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53594420
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 56352574
(2S)-N-cyclohexyl-N-methyl-2-morpholin-4-ylpropanamide
CID 93952063
3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
CID 99837364
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
CID 141160123
1-[4-(Morpholin-4-yl)piperidin-1-yl]ethan-1-one
CID 13398810
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 3229561) is 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is GUMLQMBJLFRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-15(17(21)20-11-13-22-14-12-20)18-9-5-16(6-10-18)19-7-3-2-4-8-19/h15-16H,2-14H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3229561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).