ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate

C17H21FN2O4 — CID 51163987

IUPACethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-2-24-17(23)13-4-3-9-20(11-13)15(21)10-19-16(22)12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyPPKRXTRBXOLGAK-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.36
Rot. Bonds5

About ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate (PubChem CID 51163987) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
PubChem CID51163987
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Nameethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-2-24-17(23)13-4-3-9-20(11-13)15(21)10-19-16(22)12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyPPKRXTRBXOLGAK-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-4-carboxylate
CID 27555474
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
ethyl 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 102603469
ethyl 1-[N-[2-(4-fluoroanilino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993801
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51128375
ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
CID 55473641
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate (CID 51163987) is ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate?
The InChIKey is PPKRXTRBXOLGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-2-24-17(23)13-4-3-9-20(11-13)15(21)10-19-16(22)12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 51163987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).