1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C20H19NO5 — CID 45433235

IUPAC1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H19NO5/c22-18(14-6-7-16-17(12-14)26-13-25-16)21-10-8-20(9-11-21,19(23)24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeySBZZYYVKJNTHCF-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.67
Rot. Bonds3

About 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433235) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433235
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H19NO5/c22-18(14-6-7-16-17(12-14)26-13-25-16)21-10-8-20(9-11-21,19(23)24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeySBZZYYVKJNTHCF-UHFFFAOYSA-N
XLogP2.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-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-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1,3-benzodioxol-5-yl-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3850023
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
1,3-benzodioxol-5-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406160
1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512840
1,3-benzodioxol-5-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110642266
1,3-benzodioxol-5-yl-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154567466

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433235) is 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid is O=C(c1ccc2c(c1)OCO2)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is SBZZYYVKJNTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-18(14-6-7-16-17(12-14)26-13-25-16)21-10-8-20(9-11-21,19(23)24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,24).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).