(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 151058847

IUPAC(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESCCOC(=O)[C@H]1CC(C(=O)O)CCN1C1CCNCC1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)12-9-10(13(17)18)5-8-16(12)11-3-6-15-7-4-11/h10-12,15H,2-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyMFSNXAHHDZUFEE-TVKKRMFBSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds4

About (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid

(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 151058847) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid
PubChem CID151058847
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESCCOC(=O)[C@H]1CC(C(=O)O)CCN1C1CCNCC1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)12-9-10(13(17)18)5-8-16(12)11-3-6-15-7-4-11/h10-12,15H,2-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyMFSNXAHHDZUFEE-TVKKRMFBSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-4-Methoxycarbonyl-2-piperidinecarboxylic acid
CID 13353754
tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
CID 135057141
4-Methoxycarbonylpiperidine-2-carboxylic acid
CID 13353753
2,4-Dimethyl piperidine-2,4-dicarboxylate
CID 13413091
cis-Dimethyl piperidine-2,4-dicarboxylate
CID 13413092
4-(Propoxymethyl)piperidine-2-carboxylic acid
CID 18446281
Ethyl 4-(hydroxymethyl)-piperidine-2-carboxylate
CID 19757810
2,4-Diethyl piperidine-2,4-dicarboxylate
CID 21186556
Tert-butyl 4-(hydroxymethyl)piperidine-2-carboxylate
CID 53410986
(2R,4R)-piperidine-2,4-dicarboxylic acid 2-tert-butyl ester 4-methyl ester
CID 54437399
(2S,4S)-piperidine-2,4-dicarboxylic acid 4-methyl ester hydrochloride
CID 69810160
(2S,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid
CID 69810161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid (CID 151058847) is (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid is CCOC(=O)[C@H]1CC(C(=O)O)CCN1C1CCNCC1.
What is the InChIKey of (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is MFSNXAHHDZUFEE-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-20-14(19)12-9-10(13(17)18)5-8-16(12)11-3-6-15-7-4-11/h10-12,15H,2-9H2,1H3,(H,17,18)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid?
(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 151058847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).