1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

C31H29NO3 — CID 5227464

IUPAC1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C31H29NO3/c33-31(34)29-16-7-8-21-32(29)30(25-19-17-24(18-20-25)23-10-3-1-4-11-23)26-12-9-15-28(22-26)35-27-13-5-2-6-14-27/h1-6,9-15,17-20,22,29-30H,7-8,16,21H2,(H,33,34)
InChIKeyZDRRNOVUVQPBJA-UHFFFAOYSA-N
MW463.58 g/mol
LogP7.17
Rot. Bonds7

About 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 5227464) has the molecular formula C31H29NO3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID5227464
Molecular FormulaC31H29NO3
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC Name1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C31H29NO3/c33-31(34)29-16-7-8-21-32(29)30(25-19-17-24(18-20-25)23-10-3-1-4-11-23)26-12-9-15-28(22-26)35-27-13-5-2-6-14-27/h1-6,9-15,17-20,22,29-30H,7-8,16,21H2,(H,33,34)
InChIKeyZDRRNOVUVQPBJA-UHFFFAOYSA-N
XLogP7.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4558158
1-[[4-(dimethylamino)phenyl]-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4579334
1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4291092
1-[(4-fluorophenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3995411
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(4-chlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5186869
1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3507995
1-[(4-ethoxyphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5219331
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5035806
1-[(3-fluorophenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4539396

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (CID 5227464) is 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is ZDRRNOVUVQPBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO3/c33-31(34)29-16-7-8-21-32(29)30(25-19-17-24(18-20-25)23-10-3-1-4-11-23)26-12-9-15-28(22-26)35-27-13-5-2-6-14-27/h1-6,9-15,17-20,22,29-30H,7-8,16,21H2,(H,33,34).
What are the key properties of 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 463.58 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5227464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).