4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid

C26H35N3O5 — CID 83283334

IUPAC4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCCOCCCN(C)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H35N3O5/c1-4-34-17-5-14-28(2)21-12-15-29(16-13-21)24-11-8-20(26(31)32)18-23(24)27-25(30)19-6-9-22(33-3)10-7-19/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyFNINWUDZKUIKCZ-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.97
Rot. Bonds11

About 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid

4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 83283334) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID83283334
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Name4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCCOCCCN(C)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H35N3O5/c1-4-34-17-5-14-28(2)21-12-15-29(16-13-21)24-11-8-20(26(31)32)18-23(24)27-25(30)19-6-9-22(33-3)10-7-19/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyFNINWUDZKUIKCZ-UHFFFAOYSA-N
XLogP3.97
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid
CID 46285388
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
3-[(4-methoxybenzoyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053716
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
3-(benzenesulfonamido)-4-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146056057
methyl 3-(4-ethoxybutylcarbamoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51118623
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
4-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 20985865
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid (CID 83283334) is 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid is CCOCCCN(C)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is FNINWUDZKUIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-4-34-17-5-14-28(2)21-12-15-29(16-13-21)24-11-8-20(26(31)32)18-23(24)27-25(30)19-6-9-22(33-3)10-7-19/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid?
4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 469.58 g/mol, XLogP of 3.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 83283334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).