ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate

C17H21FN2O4 — CID 27555474

IUPACethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O4/c1-2-24-17(23)13-7-9-20(10-8-13)15(21)11-19-16(22)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,22)
InChIKeyCUXODGAJTKNHTG-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.36
Rot. Bonds5

About ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 27555474) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID27555474
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Nameethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O4/c1-2-24-17(23)13-7-9-20(10-8-13)15(21)11-19-16(22)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,22)
InChIKeyCUXODGAJTKNHTG-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
1-cyclopropyl-4-fluorobenzene;ethane;ethyl 1-[2-[[4-[amino-[(Z)-2-aminoethenyl]amino]benzoyl]amino]acetyl]piperidine-4-carboxylate;propan-1-amine
CID 145139175
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 91945727
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156458
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate (CID 27555474) is ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is CUXODGAJTKNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-2-24-17(23)13-7-9-20(10-8-13)15(21)11-19-16(22)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,22).
What are the key properties of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 336.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).