4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid

C19H22N2O4 — CID 166692462

IUPAC4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Oc2ccc(NC3CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-6-8-18(9-7-16)25-17-4-2-14(3-5-17)20-15-10-12-21(13-11-15)19(22)23/h2-9,15,20H,10-13H2,1H3,(H,22,23)
InChIKeyADNPIWIOBNMBFU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.04
Rot. Bonds5

About 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid

4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid (PubChem CID 166692462) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
PubChem CID166692462
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Oc2ccc(NC3CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-6-8-18(9-7-16)25-17-4-2-14(3-5-17)20-15-10-12-21(13-11-15)19(22)23/h2-9,15,20H,10-13H2,1H3,(H,22,23)
InChIKeyADNPIWIOBNMBFU-UHFFFAOYSA-N
XLogP4.04
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768
4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
CID 67327582
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-[4-[4-(2,2-dimethoxyethyl)anilino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
CID 18173657
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid (CID 166692462) is 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid is COc1ccc(Oc2ccc(NC3CCN(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid?
The InChIKey is ADNPIWIOBNMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-6-8-18(9-7-16)25-17-4-2-14(3-5-17)20-15-10-12-21(13-11-15)19(22)23/h2-9,15,20H,10-13H2,1H3,(H,22,23).
What are the key properties of 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid?
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid is sourced from PubChem (CID 166692462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).