methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate

C15H19F2N3O4 — CID 56823494

IUPACmethyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)Nc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H19F2N3O4/c1-23-15(22)20-7-3-5-11(9-20)19-14(21)18-10-4-2-6-12(8-10)24-13(16)17/h2,4,6,8,11,13H,3,5,7,9H2,1H3,(H2,18,19,21)
InChIKeyWFNABVXCBJWBOB-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.64
Rot. Bonds4

About methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate

methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 56823494) has the molecular formula C15H19F2N3O4 and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID56823494
Molecular FormulaC15H19F2N3O4
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC Namemethyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)Nc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H19F2N3O4/c1-23-15(22)20-7-3-5-11(9-20)19-14(21)18-10-4-2-6-12(8-10)24-13(16)17/h2,4,6,8,11,13H,3,5,7,9H2,1H3,(H2,18,19,21)
InChIKeyWFNABVXCBJWBOB-UHFFFAOYSA-N
XLogP2.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784
1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
methyl 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 56823506
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
2-(cyclopentylamino)-N-[3-(difluoromethoxy)phenyl]acetamide
CID 60849036
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
1-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[3-(difluoromethoxy)phenyl]urea
CID 156534076
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate (CID 56823494) is methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCCC(NC(=O)Nc2cccc(OC(F)F)c2)C1.
What is the InChIKey of methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is WFNABVXCBJWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O4/c1-23-15(22)20-7-3-5-11(9-20)19-14(21)18-10-4-2-6-12(8-10)24-13(16)17/h2,4,6,8,11,13H,3,5,7,9H2,1H3,(H2,18,19,21).
What are the key properties of methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate?
methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 56823494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).