ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate

C20H23FN4O3 — CID 113014181

IUPACethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)c3ccccc3F)cn2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-14(10-12-25)23-18-8-7-15(13-22-18)24-19(26)16-5-3-4-6-17(16)21/h3-8,13-14H,2,9-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyXRGMKMWXSZFFGB-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.51
Rot. Bonds5

About ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 113014181) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID113014181
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nameethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)c3ccccc3F)cn2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-14(10-12-25)23-18-8-7-15(13-22-18)24-19(26)16-5-3-4-6-17(16)21/h3-8,13-14H,2,9-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyXRGMKMWXSZFFGB-UHFFFAOYSA-N
XLogP3.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286246
ethyl 4-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014202
ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029257
ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029239
ethyl 3-[[5-(1-benzothiophene-2-carbonylamino)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 66772484
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
ethyl 3-[[5-(1-benzothiophene-2-carbonylamino)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;hydrochloride
CID 66772483
2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid
CID 46362977
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 113014181) is ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(NC(=O)c3ccccc3F)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is XRGMKMWXSZFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-2-28-20(27)25-11-9-14(10-12-25)23-18-8-7-15(13-22-18)24-19(26)16-5-3-4-6-17(16)21/h3-8,13-14H,2,9-12H2,1H3,(H,22,23)(H,24,26).
What are the key properties of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113014181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).