ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate

C14H24N2O3 — CID 81128745

IUPACethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)12-7-3-4-9-16(12)13(17)11-6-5-8-15-10-11/h11-12,15H,2-10H2,1H3/t11-,12?/m1/s1
InChIKeyNCZKNAIYAFXQIB-JHJMLUEUSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds3

About ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate

ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 81128745) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
PubChem CID81128745
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)12-7-3-4-9-16(12)13(17)11-6-5-8-15-10-11/h11-12,15H,2-10H2,1H3/t11-,12?/m1/s1
InChIKeyNCZKNAIYAFXQIB-JHJMLUEUSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
ethyl 1-[C-(hydroxymethyl)-N-piperidin-3-ylcarbonimidoyl]pyrrolidine-2-carboxylate
CID 91454243
ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate
CID 91282488
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
ethyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423535
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
CID 57072792

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate (CID 81128745) is ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is NCZKNAIYAFXQIB-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-14(18)12-7-3-4-9-16(12)13(17)11-6-5-8-15-10-11/h11-12,15H,2-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate?
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 81128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).