ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate

C17H24N2O3 — CID 3044664

IUPACethyl 4-acetamido-1-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-16(21)17(18-14(2)20)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,20)
InChIKeyXXICPKDKEPPEPK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds5

About ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate

ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate (PubChem CID 3044664) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetamido-1-benzylpiperidine-4-carboxylate
PubChem CID3044664
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-acetamido-1-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-16(21)17(18-14(2)20)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,20)
InChIKeyXXICPKDKEPPEPK-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate (CID 3044664) is ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate is CCOC(=O)C1(NC(C)=O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate?
The InChIKey is XXICPKDKEPPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-16(21)17(18-14(2)20)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate?
ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 3044664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).