ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate

C16H21NO3 — CID 18760283

IUPACethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-3-20-15(19)16(2)10-7-11-17(12-16)14(18)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyJVPAIWWFOOHOGB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.49
Rot. Bonds3

About ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate

ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate (PubChem CID 18760283) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
PubChem CID18760283
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-3-20-15(19)16(2)10-7-11-17(12-16)14(18)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyJVPAIWWFOOHOGB-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate (CID 18760283) is ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate is CCOC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate?
The InChIKey is JVPAIWWFOOHOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-20-15(19)16(2)10-7-11-17(12-16)14(18)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate?
ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 18760283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).