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

C36H63ClN6O7 — CID 158829071

IUPACN-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
SMILESCCN(C(C)=O)C1CCN(C2CC3(CCN(C(=O)OC)C3)C2)CC1.CCN(C(C)=O)C1CCNCC1.COC(=O)N1CC2(CCC(=O)C2)C1.Cl
InChIInChI=1S/C18H31N3O3.C9H18N2O.C9H13NO3.ClH/c1-4-21(14(2)22)15-5-8-19(9-6-15)16-11-18(12-16)7-10-20(13-18)17(23)24-3;1-3-11(8(2)12)9-4-6-10-7-5-9;1-13-8(12)10-5-9(6-10)3-2-7(11)4-9;/h15-16H,4-13H2,1-3H3;9-10H,3-7H2,1-2H3;2-6H2,1H3;1H
InChIKeyZTUDGSMRSDAFSX-UHFFFAOYSA-N
MW727.39 g/mol
LogP3.78
Rot. Bonds5

About 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

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 (PubChem CID 158829071) has the molecular formula C36H63ClN6O7 and a molecular weight of 727.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158829071
Molecular FormulaC36H63ClN6O7
Molecular Weight727.39 g/mol
Exact Mass726.44
IUPAC NameN-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
SMILESCCN(C(C)=O)C1CCN(C2CC3(CCN(C(=O)OC)C3)C2)CC1.CCN(C(C)=O)C1CCNCC1.COC(=O)N1CC2(CCC(=O)C2)C1.Cl
InChIInChI=1S/C18H31N3O3.C9H18N2O.C9H13NO3.ClH/c1-4-21(14(2)22)15-5-8-19(9-6-15)16-11-18(12-16)7-10-20(13-18)17(23)24-3;1-3-11(8(2)12)9-4-6-10-7-5-9;1-13-8(12)10-5-9(6-10)3-2-7(11)4-9;/h15-16H,4-13H2,1-3H3;9-10H,3-7H2,1-2H3;2-6H2,1H3;1H
InChIKeyZTUDGSMRSDAFSX-UHFFFAOYSA-N
XLogP3.78
TPSA132.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500727.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
2-[4-[ethyl(methoxy)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408012
ethyl 2-[4-[acetyl-[(1-methoxycyclobutyl)methyl]amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511736
ethyl 2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511707
ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511781
ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
CID 171092521
ethyl 2-(4-ethanimidoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 146626107
methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 126526004
ethyl 2-[(1R,5S)-6-[cyclopropyl(ethyl)carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 137359845
ethyl 2-[4-[methyl-(1-methylcyclobutyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 155420170
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(C)=O)C1CCN(C2CC3(CCN(C(=O)OC)C3)C2)CC1.CCN(C(C)=O)C1CCNCC1.COC(=O)N1CC2(CCC(=O)C2)C1.Cl.
What is the InChIKey of 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?
The InChIKey is ZTUDGSMRSDAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3.C9H18N2O.C9H13NO3.ClH/c1-4-21(14(2)22)15-5-8-19(9-6-15)16-11-18(12-16)7-10-20(13-18)17(23)24-3;1-3-11(8(2)12)9-4-6-10-7-5-9;1-13-8(12)10-5-9(6-10)3-2-7(11)4-9;/h15-16H,4-13H2,1-3H3;9-10H,3-7H2,1-2H3;2-6H2,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 727.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158829071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).