1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid

C15H20N2O3 — CID 63136354

IUPAC1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-15(14(19)20)8-3-9-17(10-15)12-6-4-11(5-7-12)13(16)18/h4-7H,2-3,8-10H2,1H3,(H2,16,18)(H,19,20)
InChIKeyAOOPZCNYYPMBIU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid

1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63136354) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63136354
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-15(14(19)20)8-3-9-17(10-15)12-6-4-11(5-7-12)13(16)18/h4-7H,2-3,8-10H2,1H3,(H2,16,18)(H,19,20)
InChIKeyAOOPZCNYYPMBIU-UHFFFAOYSA-N
XLogP1.87
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid (CID 63136354) is 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is AOOPZCNYYPMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-15(14(19)20)8-3-9-17(10-15)12-6-4-11(5-7-12)13(16)18/h4-7H,2-3,8-10H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid?
1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).