ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate

C12H21NO4 — CID 62590796

IUPACethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCOC)CC1
InChIInChI=1S/C12H21NO4/c1-3-17-12(15)10-4-7-13(8-5-10)11(14)6-9-16-2/h10H,3-9H2,1-2H3
InChIKeyZWMCSIGIFGIGII-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds5

About ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate

ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate (PubChem CID 62590796) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
PubChem CID62590796
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCOC)CC1
InChIInChI=1S/C12H21NO4/c1-3-17-12(15)10-4-7-13(8-5-10)11(14)6-9-16-2/h10H,3-9H2,1-2H3
InChIKeyZWMCSIGIFGIGII-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 43424038
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate (CID 62590796) is ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCOC)CC1.
What is the InChIKey of ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate?
The InChIKey is ZWMCSIGIFGIGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-12(15)10-4-7-13(8-5-10)11(14)6-9-16-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate?
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 62590796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).