1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid

C15H20N2O4 — CID 43440705

IUPAC1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-4-12(5-7-13)16-14(18)10-17-8-2-3-11(9-17)15(19)20/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyCIELZHOURJKEPN-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 43440705) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID43440705
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-4-12(5-7-13)16-14(18)10-17-8-2-3-11(9-17)15(19)20/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyCIELZHOURJKEPN-UHFFFAOYSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026204
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166602036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 43440705) is 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid is COc1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is CIELZHOURJKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-6-4-12(5-7-13)16-14(18)10-17-8-2-3-11(9-17)15(19)20/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).