methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate

C15H20FN3O3 — CID 86842324

IUPACmethyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H20FN3O3/c1-10-3-4-12(9-13(10)16)18-14(20)17-11-5-7-19(8-6-11)15(21)22-2/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18,20)
InChIKeyQOIMMILHJFSOHX-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.49
Rot. Bonds2

About methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate

methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 86842324) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID86842324
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Namemethyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H20FN3O3/c1-10-3-4-12(9-13(10)16)18-14(20)17-11-5-7-19(8-6-11)15(21)22-2/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18,20)
InChIKeyQOIMMILHJFSOHX-UHFFFAOYSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]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 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
CID 161004639
CID 161004639
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 47041686
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate (CID 86842324) is methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1.
What is the InChIKey of methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is QOIMMILHJFSOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-10-3-4-12(9-13(10)16)18-14(20)17-11-5-7-19(8-6-11)15(21)22-2/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18,20).
What are the key properties of methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate?
methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86842324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).