1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

C22H28N3O4+ — CID 8530759

IUPAC1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-28-18-7-9-20(10-8-18)29-19-5-3-17(4-6-19)24-21(26)15-25-13-11-16(12-14-25)22(23)27/h3-10,16H,2,11-15H2,1H3,(H2,23,27)(H,24,26)/p+1
InChIKeyKPTIRYPATUFSSM-UHFFFAOYSA-O
MW398.48 g/mol
LogP1.60
Rot. Bonds8

About 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8530759) has the molecular formula C22H28N3O4+ and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID8530759
Molecular FormulaC22H28N3O4+
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-28-18-7-9-20(10-8-18)29-19-5-3-17(4-6-19)24-21(26)15-25-13-11-16(12-14-25)22(23)27/h3-10,16H,2,11-15H2,1H3,(H2,23,27)(H,24,26)/p+1
InChIKeyKPTIRYPATUFSSM-UHFFFAOYSA-O
XLogP1.60
TPSA95.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide 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

ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531109
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8995685
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7647920
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
CID 8531125
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 2400582
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 6945137
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 6986257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 8530759) is 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is KPTIRYPATUFSSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N3O4/c1-2-28-18-7-9-20(10-8-18)29-19-5-3-17(4-6-19)24-21(26)15-25-13-11-16(12-14-25)22(23)27/h3-10,16H,2,11-15H2,1H3,(H2,23,27)(H,24,26)/p+1.
What are the key properties of 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).