ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate

C17H22N2O4 — CID 869427

IUPACethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C17H22N2O4/c1-3-23-17(22)13-8-10-19(11-9-13)16(21)14-6-4-5-7-15(14)18-12(2)20/h4-7,13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyNWAAXKYQEZCJOK-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.06
Rot. Bonds4

About ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate

ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate (PubChem CID 869427) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate
PubChem CID869427
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C17H22N2O4/c1-3-23-17(22)13-8-10-19(11-9-13)16(21)14-6-4-5-7-15(14)18-12(2)20/h4-7,13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyNWAAXKYQEZCJOK-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate (CID 869427) is ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1.
What is the InChIKey of ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate?
The InChIKey is NWAAXKYQEZCJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-23-17(22)13-8-10-19(11-9-13)16(21)14-6-4-5-7-15(14)18-12(2)20/h4-7,13H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-acetamidobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 869427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).