2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane

C14H29N3O2 — CID 168941007

IUPAC2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
SMILESC.CN(C)CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.CH4/c1-14(2)11-13(17)16-5-3-12(4-6-16)15-7-9-18-10-8-15;/h12H,3-11H2,1-2H3;1H4
InChIKeyDKLFFYXOAMISFB-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.51
Rot. Bonds3

About 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane

2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane (PubChem CID 168941007) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
PubChem CID168941007
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
SMILESC.CN(C)CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.CH4/c1-14(2)11-13(17)16-5-3-12(4-6-16)15-7-9-18-10-8-15;/h12H,3-11H2,1-2H3;1H4
InChIKeyDKLFFYXOAMISFB-UHFFFAOYSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 16195078
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-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97491893
1-(4-Fluoropiperidin-1-yl)-2-morpholin-4-ylethanone
CID 172434889
7-Methyl-3-(4-morpholinyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 334627
1-[4-(2-Methylpropyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 45803767
2-[Cyclohexyl(methyl)amino]-1-morpholin-4-ylethanone
CID 47006665
2-(4-Aminopiperidin-1-yl)-1-(morpholin-4-yl)ethan-1-one dihydrochloride
CID 56773516
2-Morpholino-1-{2-[2-(1-pyrrolidinyl)ethyl]piperidino}-1-ethanone
CID 53193386
1-(3-Methylpiperidin-1-yl)-2-morpholinoethanone
CID 57600096

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane?
The IUPAC name of 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane (CID 168941007) is 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane.
What is the SMILES notation for 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane?
The canonical SMILES for 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane is C.CN(C)CC(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane?
The InChIKey is DKLFFYXOAMISFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.CH4/c1-14(2)11-13(17)16-5-3-12(4-6-16)15-7-9-18-10-8-15;/h12H,3-11H2,1-2H3;1H4.
What are the key properties of 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane?
2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane has a molecular weight of 271.40 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane is sourced from PubChem (CID 168941007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).