2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid

C16H20N2O5 — CID 2812260

IUPAC2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H20N2O5/c1-2-23-16(22)18-9-7-11(8-10-18)17-14(19)12-5-3-4-6-13(12)15(20)21/h3-6,11H,2,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyFYSWTKGNKMIVQB-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid

2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid (PubChem CID 2812260) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid
PubChem CID2812260
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H20N2O5/c1-2-23-16(22)18-9-7-11(8-10-18)17-14(19)12-5-3-4-6-13(12)15(20)21/h3-6,11H,2,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyFYSWTKGNKMIVQB-UHFFFAOYSA-N
XLogP1.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 52295
benzoic acid, 2-((octadecylamino)carbonyl)-, monosodium salt
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PaAMOM
CID 139596581
2-{[(2-Hydroxy-2-phenylethyl)amino]carbonyl}benzoic acid
CID 2812763
2-{[(2-Oxo-3-azepanyl)amino]carbonyl}benzoic acid
CID 2813117
2-[(1,2,3,4-Tetrahydronaphthalen-1-ylamino)carbonyl]benzoic acid
CID 3606560
2-(1-ethoxycarbonylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 5309778
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
2-{[(2-Methylbenzyl)amino]carbonyl}benzoic acid
CID 7315336
2-[4-(3-Adamantan-1-yl-ureido)-piperidine-1-carbonyl]-benzoic acid
CID 44416944

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid (CID 2812260) is 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid is CCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid?
The InChIKey is FYSWTKGNKMIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-23-16(22)18-9-7-11(8-10-18)17-14(19)12-5-3-4-6-13(12)15(20)21/h3-6,11H,2,7-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid?
2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid has a molecular weight of 320.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2812260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).