1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid

C23H29NO4 — CID 3691753

IUPAC1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(C(c2ccccc2)N2CCCC(C(=O)O)C2)cc1OCC
InChIInChI=1S/C23H29NO4/c1-3-27-20-13-12-18(15-21(20)28-4-2)22(17-9-6-5-7-10-17)24-14-8-11-19(16-24)23(25)26/h5-7,9-10,12-13,15,19,22H,3-4,8,11,14,16H2,1-2H3,(H,25,26)
InChIKeyZKEQFTBVYXNUQP-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.37
Rot. Bonds8

About 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid

1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid (PubChem CID 3691753) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
PubChem CID3691753
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(C(c2ccccc2)N2CCCC(C(=O)O)C2)cc1OCC
InChIInChI=1S/C23H29NO4/c1-3-27-20-13-12-18(15-21(20)28-4-2)22(17-9-6-5-7-10-17)24-14-8-11-19(16-24)23(25)26/h5-7,9-10,12-13,15,19,22H,3-4,8,11,14,16H2,1-2H3,(H,25,26)
InChIKeyZKEQFTBVYXNUQP-UHFFFAOYSA-N
XLogP4.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-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-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4004052
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3874488
1-[(3-bromophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4533309
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4992512
1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 4992968
1-[[4-(dimethylamino)phenyl]-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5228885
1-[(3-ethoxy-4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3616381
1-[(2,3-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4992513
1-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4028795
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4211457
1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3664904
1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3439691

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid (CID 3691753) is 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid is CCOc1ccc(C(c2ccccc2)N2CCCC(C(=O)O)C2)cc1OCC.
What is the InChIKey of 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid?
The InChIKey is ZKEQFTBVYXNUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-27-20-13-12-18(15-21(20)28-4-2)22(17-9-6-5-7-10-17)24-14-8-11-19(16-24)23(25)26/h5-7,9-10,12-13,15,19,22H,3-4,8,11,14,16H2,1-2H3,(H,25,26).
What are the key properties of 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid?
1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid has a molecular weight of 383.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3691753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).