(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid

C14H16BrNO3 — CID 79034828

IUPAC(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-11-5-3-4-10(8-11)9-13(17)16-7-2-1-6-12(16)14(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,18,19)/t12-/m1/s1
InChIKeyRNNLWJBFWRUVBX-GFCCVEGCSA-N
MW326.19 g/mol
LogP2.46
Rot. Bonds3

About (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 79034828) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID79034828
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-11-5-3-4-10(8-11)9-13(17)16-7-2-1-6-12(16)14(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,18,19)/t12-/m1/s1
InChIKeyRNNLWJBFWRUVBX-GFCCVEGCSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid (CID 79034828) is (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is RNNLWJBFWRUVBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-11-5-3-4-10(8-11)9-13(17)16-7-2-1-6-12(16)14(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).