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

C15H19NO5 — CID 858669

IUPAC(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-12-6-11(7-13(8-12)21-2)14(17)16-5-3-4-10(9-16)15(18)19/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQQAAGXVQRSNYTM-JTQLQIEISA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds4

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

(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 858669) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID858669
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-20-12-6-11(7-13(8-12)21-2)14(17)16-5-3-4-10(9-16)15(18)19/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQQAAGXVQRSNYTM-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

(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
1-[3-(3,5-dimethoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126794677
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(3S)-1-[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173519
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid (CID 858669) is (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid is COc1cc(OC)cc(C(=O)N2CCC[C@H](C(=O)O)C2)c1.
What is the InChIKey of (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is QQAAGXVQRSNYTM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-6-11(7-13(8-12)21-2)14(17)16-5-3-4-10(9-16)15(18)19/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid?
(3S)-1-(3,5-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-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).