ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid

C20H44N2O4 — CID 141098708

IUPACethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
SMILESCC.CC.CC.CCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C8H15NO2.C6H11NO2.3C2H6/c1-2-11-8(10)7-4-3-5-9-6-7;8-6(9)5-2-1-3-7-4-5;3*1-2/h7,9H,2-6H2,1H3;5,7H,1-4H2,(H,8,9);3*1-2H3/t7-;5-;;;/m11.../s1
InChIKeyOLPBRRRQPOIJMT-DKIWRIFZSA-N
MW376.58 g/mol
LogP3.70
Rot. Bonds3

About ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid

ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid (PubChem CID 141098708) has the molecular formula C20H44N2O4 and a molecular weight of 376.58 g/mol. Its IUPAC name is ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
PubChem CID141098708
Molecular FormulaC20H44N2O4
Molecular Weight376.58 g/mol
Exact Mass376.33
IUPAC Nameethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
SMILESCC.CC.CC.CCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C8H15NO2.C6H11NO2.3C2H6/c1-2-11-8(10)7-4-3-5-9-6-7;8-6(9)5-2-1-3-7-4-5;3*1-2/h7,9H,2-6H2,1H3;5,7H,1-4H2,(H,8,9);3*1-2H3/t7-;5-;;;/m11.../s1
InChIKeyOLPBRRRQPOIJMT-DKIWRIFZSA-N
XLogP3.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
azetidine-3-carboxylic acid;ethyl azetidine-3-carboxylate;hydrochloride
CID 158193834
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
ethyl 3-aminoazepane-4-carboxylate
CID 155145528
heptyl piperidine-3-carboxylate
CID 13360541
3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
CID 81119867
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid?
The IUPAC name of ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid (CID 141098708) is ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid.
What is the SMILES notation for ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid?
The canonical SMILES for ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid is CC.CC.CC.CCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@@H]1CCCNC1.
What is the InChIKey of ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid?
The InChIKey is OLPBRRRQPOIJMT-DKIWRIFZSA-N. The full InChI is InChI=1S/C8H15NO2.C6H11NO2.3C2H6/c1-2-11-8(10)7-4-3-5-9-6-7;8-6(9)5-2-1-3-7-4-5;3*1-2/h7,9H,2-6H2,1H3;5,7H,1-4H2,(H,8,9);3*1-2H3/t7-;5-;;;/m11.../s1.
What are the key properties of ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid?
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid has a molecular weight of 376.58 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid is sourced from PubChem (CID 141098708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).