ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate

C15H19ClFN3O3 — CID 108896619

IUPACethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O3/c1-2-23-15(22)20-8-6-10(7-9-20)18-14(21)19-13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19,21)
InChIKeyMJJQJZSGVZNUKS-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.22
Rot. Bonds3

About ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 108896619) has the molecular formula C15H19ClFN3O3 and a molecular weight of 343.79 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID108896619
Molecular FormulaC15H19ClFN3O3
Molecular Weight343.79 g/mol
Exact Mass343.11
IUPAC Nameethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O3/c1-2-23-15(22)20-8-6-10(7-9-20)18-14(21)19-13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19,21)
InChIKeyMJJQJZSGVZNUKS-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108522111
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[[N'-[2-(2-chloro-6-fluorophenyl)cyclopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111818751
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate (CID 108896619) is ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2c(F)cccc2Cl)CC1.
What is the InChIKey of ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is MJJQJZSGVZNUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O3/c1-2-23-15(22)20-8-6-10(7-9-20)18-14(21)19-13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 343.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108896619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).