ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C19H24FN3O4 — CID 109138917

IUPACethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-19(26)23-8-6-13(7-9-23)21-17(24)15-11-16(15)18(25)22-14-5-3-4-12(20)10-14/h3-5,10,13,15-16H,2,6-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyVSWZMFYLVAYIPB-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.14
Rot. Bonds5

About ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109138917) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109138917
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Nameethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-19(26)23-8-6-13(7-9-23)21-17(24)15-11-16(15)18(25)22-14-5-3-4-12(20)10-14/h3-5,10,13,15-16H,2,6-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyVSWZMFYLVAYIPB-UHFFFAOYSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]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

2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215860
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138897
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138987
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 109138917) is ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is VSWZMFYLVAYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-2-27-19(26)23-8-6-13(7-9-23)21-17(24)15-11-16(15)18(25)22-14-5-3-4-12(20)10-14/h3-5,10,13,15-16H,2,6-9,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109138917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).