ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate

C15H18F2N2O3 — CID 60596637

IUPACethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C15H18F2N2O3/c1-2-22-15(21)19-8-4-5-10(9-19)14(20)18-12-7-3-6-11(16)13(12)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,20)
InChIKeyIOGVUYVOQNBTFJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.77
Rot. Bonds3

About ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate

ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 60596637) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID60596637
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C15H18F2N2O3/c1-2-22-15(21)19-8-4-5-10(9-19)14(20)18-12-7-3-6-11(16)13(12)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,20)
InChIKeyIOGVUYVOQNBTFJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 60596637) is ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2cccc(F)c2F)C1.
What is the InChIKey of ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is IOGVUYVOQNBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-2-22-15(21)19-8-4-5-10(9-19)14(20)18-12-7-3-6-11(16)13(12)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,20).
What are the key properties of ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 60596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).