1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid

C17H23NO4 — CID 82064861

IUPAC1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)cc1C
InChIInChI=1S/C17H23NO4/c1-12-10-13(5-6-16(12)22-2)15(19)7-9-18-8-3-4-14(11-18)17(20)21/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyIDFBKRWGUGRECL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.37
Rot. Bonds6

About 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid

1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 82064861) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID82064861
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)cc1C
InChIInChI=1S/C17H23NO4/c1-12-10-13(5-6-16(12)22-2)15(19)7-9-18-8-3-4-14(11-18)17(20)21/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyIDFBKRWGUGRECL-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354
1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073200
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid (CID 82064861) is 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid is COc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)cc1C.
What is the InChIKey of 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is IDFBKRWGUGRECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-10-13(5-6-16(12)22-2)15(19)7-9-18-8-3-4-14(11-18)17(20)21/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82064861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).