1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid

C15H19NO4 — CID 54794301

IUPAC1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19NO4/c1-2-20-13-7-3-5-11(9-13)14(17)16-8-4-6-12(10-16)15(18)19/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,18,19)
InChIKeyFAPAZUFIAWYMHL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds4

About 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid

1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 54794301) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID54794301
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19NO4/c1-2-20-13-7-3-5-11(9-13)14(17)16-8-4-6-12(10-16)15(18)19/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,18,19)
InChIKeyFAPAZUFIAWYMHL-UHFFFAOYSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid (CID 54794301) is 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid is CCOc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is FAPAZUFIAWYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-13-7-3-5-11(9-13)14(17)16-8-4-6-12(10-16)15(18)19/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,18,19).
What are the key properties of 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid?
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 54794301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).