ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate

C14H24N2O3 — CID 81329492

IUPACethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)11-6-5-9-16(10-11)14(18)15-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyXRRIHQVJHQXQPC-LLVKDONJSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds3

About ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate

ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate (PubChem CID 81329492) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate
PubChem CID81329492
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)11-6-5-9-16(10-11)14(18)15-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyXRRIHQVJHQXQPC-LLVKDONJSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate (CID 81329492) is ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is XRRIHQVJHQXQPC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)11-6-5-9-16(10-11)14(18)15-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 81329492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).