(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid

C15H19NO5 — CID 51885492

IUPAC(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-5-6-13(21-2)12(8-11)14(17)16-7-3-4-10(9-16)15(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyHZRHKFIZNORLGE-JTQLQIEISA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds4

About (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid

(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 51885492) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID51885492
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-5-6-13(21-2)12(8-11)14(17)16-7-3-4-10(9-16)15(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyHZRHKFIZNORLGE-JTQLQIEISA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62355921
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid (CID 51885492) is (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid is COc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1.
What is the InChIKey of (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is HZRHKFIZNORLGE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-11-5-6-13(21-2)12(8-11)14(17)16-7-3-4-10(9-16)15(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 51885492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).