ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C15H20N2O3 — CID 2973554

IUPACethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)12-7-6-10-17(11-12)15(19)16-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyRVDTYJRDFAHBSJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds3

About ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 2973554) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID2973554
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)12-7-6-10-17(11-12)15(19)16-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyRVDTYJRDFAHBSJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 2973554) is ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is RVDTYJRDFAHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14(18)12-7-6-10-17(11-12)15(19)16-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,16,19).
What are the key properties of ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2973554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).