ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate

C16H21NO4 — CID 669067

IUPACethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H21NO4/c1-3-21-16(19)13-8-10-17(11-9-13)15(18)12-4-6-14(20-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3
InChIKeyARNMYHLLAXDMNT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds4

About ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate

ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 669067) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID669067
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H21NO4/c1-3-21-16(19)13-8-10-17(11-9-13)15(18)12-4-6-14(20-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3
InChIKeyARNMYHLLAXDMNT-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate (CID 669067) is ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is ARNMYHLLAXDMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-16(19)13-8-10-17(11-9-13)15(18)12-4-6-14(20-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 669067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).