1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid

C17H23NO4 — CID 120684614

IUPAC1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
SMILESCCC(C(=O)N1CCCCC1C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-14(12-7-9-13(22-2)10-8-12)16(19)18-11-5-4-6-15(18)17(20)21/h7-10,14-15H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyOFBWKOVCCFQDJA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid

1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid (PubChem CID 120684614) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
PubChem CID120684614
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
SMILESCCC(C(=O)N1CCCCC1C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-14(12-7-9-13(22-2)10-8-12)16(19)18-11-5-4-6-15(18)17(20)21/h7-10,14-15H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyOFBWKOVCCFQDJA-UHFFFAOYSA-N
XLogP2.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-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

(2S)-1-[(2S)-2-(3,4,5-trihydroxyphenyl)butanoyl]piperidine-2-carboxylic acid
CID 118689684
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 119175892
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 43092200
(2S)-1-[(2S)-2-(2,5-dimethoxyphenyl)-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 11023738
1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43092846
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 24711434
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)butan-1-one
CID 110023554
(2R)-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 119371042
1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4299590

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid (CID 120684614) is 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid is CCC(C(=O)N1CCCCC1C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid?
The InChIKey is OFBWKOVCCFQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-14(12-7-9-13(22-2)10-8-12)16(19)18-11-5-4-6-15(18)17(20)21/h7-10,14-15H,3-6,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid?
1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120684614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).