1-ethoxycarbonylpiperidine-2-carboxylate

C9H14NO4- — CID 71341440

IUPAC1-ethoxycarbonylpiperidine-2-carboxylate
SMILESCCOC(=O)N1CCCCC1C(=O)[O-]
InChIInChI=1S/C9H15NO4/c1-2-14-9(13)10-6-4-3-5-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/p-1
InChIKeyQIINMEGWTDLIJO-UHFFFAOYSA-M
MW200.21 g/mol
LogP-0.25
Rot. Bonds2

About 1-ethoxycarbonylpiperidine-2-carboxylate

1-ethoxycarbonylpiperidine-2-carboxylate (PubChem CID 71341440) has the molecular formula C9H14NO4- and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-ethoxycarbonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name1-ethoxycarbonylpiperidine-2-carboxylate
PubChem CID71341440
Molecular FormulaC9H14NO4-
Molecular Weight200.21 g/mol
Exact Mass200.09
IUPAC Name1-ethoxycarbonylpiperidine-2-carboxylate
SMILESCCOC(=O)N1CCCCC1C(=O)[O-]
InChIInChI=1S/C9H15NO4/c1-2-14-9(13)10-6-4-3-5-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/p-1
InChIKeyQIINMEGWTDLIJO-UHFFFAOYSA-M
XLogP-0.25
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244
ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
CID 12515616
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
CID 70196600
CID 59417753
CID 59417753
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540

Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonylpiperidine-2-carboxylate?
The IUPAC name of 1-ethoxycarbonylpiperidine-2-carboxylate (CID 71341440) is 1-ethoxycarbonylpiperidine-2-carboxylate.
What is the SMILES notation for 1-ethoxycarbonylpiperidine-2-carboxylate?
The canonical SMILES for 1-ethoxycarbonylpiperidine-2-carboxylate is CCOC(=O)N1CCCCC1C(=O)[O-].
What is the InChIKey of 1-ethoxycarbonylpiperidine-2-carboxylate?
The InChIKey is QIINMEGWTDLIJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NO4/c1-2-14-9(13)10-6-4-3-5-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/p-1.
What are the key properties of 1-ethoxycarbonylpiperidine-2-carboxylate?
1-ethoxycarbonylpiperidine-2-carboxylate has a molecular weight of 200.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonylpiperidine-2-carboxylate is sourced from PubChem (CID 71341440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).