ethyl (3R)-1-propanoylpiperidine-3-carboxylate

C11H19NO3 — CID 1292377

IUPACethyl (3R)-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CC)C1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-7-5-6-9(8-12)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyOVCXDMTZRLIDIT-SECBINFHSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds3

About ethyl (3R)-1-propanoylpiperidine-3-carboxylate

ethyl (3R)-1-propanoylpiperidine-3-carboxylate (PubChem CID 1292377) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (3R)-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-propanoylpiperidine-3-carboxylate
PubChem CID1292377
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (3R)-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CC)C1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-7-5-6-9(8-12)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyOVCXDMTZRLIDIT-SECBINFHSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-propanoylpiperidine-3-carboxylate (CID 1292377) is ethyl (3R)-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-propanoylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CC)C1.
What is the InChIKey of ethyl (3R)-1-propanoylpiperidine-3-carboxylate?
The InChIKey is OVCXDMTZRLIDIT-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(13)12-7-5-6-9(8-12)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-propanoylpiperidine-3-carboxylate?
ethyl (3R)-1-propanoylpiperidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 1292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).