ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate

C20H31NO5 — CID 55316176

IUPACethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C20H31NO5/c1-3-25-20(24)15-6-8-21(9-7-15)19(23)13(2)26-18(22)12-17-11-14-4-5-16(17)10-14/h13-17H,3-12H2,1-2H3
InChIKeyWKBNUVMNRARGKP-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.55
Rot. Bonds6

About ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55316176) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID55316176
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Nameethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C20H31NO5/c1-3-25-20(24)15-6-8-21(9-7-15)19(23)13(2)26-18(22)12-17-11-14-4-5-16(17)10-14/h13-17H,3-12H2,1-2H3
InChIKeyWKBNUVMNRARGKP-UHFFFAOYSA-N
XLogP2.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-[N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157139
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55504842
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 55406560
ethyl 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42898291

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate (CID 55316176) is ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is WKBNUVMNRARGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-3-25-20(24)15-6-8-21(9-7-15)19(23)13(2)26-18(22)12-17-11-14-4-5-16(17)10-14/h13-17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55316176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).