ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane

C45H82N6O7 — CID 158408994

IUPACethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane
SMILESC.CCC(C1CCNCC1)N(CC)C(C)=O.CCOC(=O)N1CCC2(CC(=O)C2)C1.CCOC(=O)N1CCC2(CC(N3CCC(C(CC)N(CC)C(C)=O)CC3)C2)C1
InChIInChI=1S/C22H39N3O3.C12H24N2O.C10H15NO3.CH4/c1-5-20(25(6-2)17(4)26)18-8-11-23(12-9-18)19-14-22(15-19)10-13-24(16-22)21(27)28-7-3;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10;/h18-20H,5-16H2,1-4H3;11-13H,4-9H2,1-3H3;2-7H2,1H3;1H4
InChIKeyGZBGDFQOACURTB-UHFFFAOYSA-N
MW819.19 g/mol
LogP6.82
Rot. Bonds11

About ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane

ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane (PubChem CID 158408994) has the molecular formula C45H82N6O7 and a molecular weight of 819.19 g/mol. Its IUPAC name is ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane.

Molecular Properties

Compound Nameethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane
PubChem CID158408994
Molecular FormulaC45H82N6O7
Molecular Weight819.19 g/mol
Exact Mass818.62
IUPAC Nameethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane
SMILESC.CCC(C1CCNCC1)N(CC)C(C)=O.CCOC(=O)N1CCC2(CC(=O)C2)C1.CCOC(=O)N1CCC2(CC(N3CCC(C(CC)N(CC)C(C)=O)CC3)C2)C1
InChIInChI=1S/C22H39N3O3.C12H24N2O.C10H15NO3.CH4/c1-5-20(25(6-2)17(4)26)18-8-11-23(12-9-18)19-14-22(15-19)10-13-24(16-22)21(27)28-7-3;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10;/h18-20H,5-16H2,1-4H3;11-13H,4-9H2,1-3H3;2-7H2,1H3;1H4
InChIKeyGZBGDFQOACURTB-UHFFFAOYSA-N
XLogP6.82
TPSA132.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.19
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane with MolForge

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Related Compounds

N-ethyl-N-piperidin-4-ylacetamide;methyl 2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;methyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate;hydrochloride
CID 158829071
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
ethyl 2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511707
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-[4-(2-oxoazetidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;methane;1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
CID 160944788
ethyl 2-(4-ethanimidoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 146626107
ethyl 2-[4-[methyl-(1-methylcyclobutyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 155420170
acetic acid;ethyl 2-(4-cyano-4-pyridin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;4-pyridin-2-ylpiperidine-4-carbonitrile;hydrochloride
CID 158762150
ethyl 2-[4-[acetyl-[(1-methoxycyclobutyl)methyl]amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511736
ethyl 2-[4-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295134
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295160
ethyl 2-(4-butanoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 140909628
ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane?
The IUPAC name of ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane (CID 158408994) is ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane.
What is the SMILES notation for ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane?
The canonical SMILES for ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane is C.CCC(C1CCNCC1)N(CC)C(C)=O.CCOC(=O)N1CCC2(CC(=O)C2)C1.CCOC(=O)N1CCC2(CC(N3CCC(C(CC)N(CC)C(C)=O)CC3)C2)C1.
What is the InChIKey of ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane?
The InChIKey is GZBGDFQOACURTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3.C12H24N2O.C10H15NO3.CH4/c1-5-20(25(6-2)17(4)26)18-8-11-23(12-9-18)19-14-22(15-19)10-13-24(16-22)21(27)28-7-3;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10;/h18-20H,5-16H2,1-4H3;11-13H,4-9H2,1-3H3;2-7H2,1H3;1H4.
What are the key properties of ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane?
ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane has a molecular weight of 819.19 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane is sourced from PubChem (CID 158408994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).