1-acetyl-4-phenylpiperidine-4-carboxylic acid

C14H17NO3 — CID 4780578

IUPAC1-acetyl-4-phenylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(16)15-9-7-14(8-10-15,13(17)18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18)
InChIKeyKFZBKMCIJIEDGK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.65
Rot. Bonds2

About 1-acetyl-4-phenylpiperidine-4-carboxylic acid

1-acetyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 4780578) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-acetyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID4780578
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-acetyl-4-phenylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(16)15-9-7-14(8-10-15,13(17)18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18)
InChIKeyKFZBKMCIJIEDGK-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-phenylpiperidine-4-carboxylic acid (CID 4780578) is 1-acetyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-phenylpiperidine-4-carboxylic acid is CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is KFZBKMCIJIEDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(16)15-9-7-14(8-10-15,13(17)18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18).
What are the key properties of 1-acetyl-4-phenylpiperidine-4-carboxylic acid?
1-acetyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 4780578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).