ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate

C16H19NO5 — CID 660812

IUPACethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19NO5/c1-2-20-16(19)11-5-7-17(8-6-11)15(18)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyKONXUFXACZVAGG-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.83
Rot. Bonds3

About ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 660812) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
PubChem CID660812
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19NO5/c1-2-20-16(19)11-5-7-17(8-6-11)15(18)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyKONXUFXACZVAGG-UHFFFAOYSA-N
XLogP1.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808937
[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 39377171
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
ethyl 1-[(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
CID 98421041
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108548636
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 110866788

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate (CID 660812) is ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is KONXUFXACZVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-20-16(19)11-5-7-17(8-6-11)15(18)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 660812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).