ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate

C17H22N2O5 — CID 110866788

IUPACethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H22N2O5/c1-3-22-17(21)19-8-6-13(7-9-19)18(2)16(20)12-4-5-14-15(10-12)24-11-23-14/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyVNEGRRAPPIIVJJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.11
Rot. Bonds3

About ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate

ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 110866788) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
PubChem CID110866788
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H22N2O5/c1-3-22-17(21)19-8-6-13(7-9-19)18(2)16(20)12-4-5-14-15(10-12)24-11-23-14/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyVNEGRRAPPIIVJJ-UHFFFAOYSA-N
XLogP2.11
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3,4-difluorobenzoyl)-methylamino]piperidine-1-carboxylate
CID 110868280
ethyl 4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808937
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-[[1-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 25465200
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 134706957
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 39377171

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate (CID 110866788) is ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(C)C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is VNEGRRAPPIIVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-22-17(21)19-8-6-13(7-9-19)18(2)16(20)12-4-5-14-15(10-12)24-11-23-14/h4-5,10,13H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate?
ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110866788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).