1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid

C15H17NO3 — CID 3730159

IUPAC1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccccc1
InChIInChI=1S/C15H17NO3/c17-13-9-8-12(15(18)19)14(16(13)11-6-7-11)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,18,19)
InChIKeyAQHJUYDWZNSTQO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid

1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid (PubChem CID 3730159) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
PubChem CID3730159
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccccc1
InChIInChI=1S/C15H17NO3/c17-13-9-8-12(15(18)19)14(16(13)11-6-7-11)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,18,19)
InChIKeyAQHJUYDWZNSTQO-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid (CID 3730159) is 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CC2)C1c1ccccc1.
What is the InChIKey of 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is AQHJUYDWZNSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-9-8-12(15(18)19)14(16(13)11-6-7-11)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,18,19).
What are the key properties of 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 3730159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).