methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate

C14H16F2N2O3 — CID 115536165

IUPACmethyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-11-6-5-9(15)8-10(11)16/h5-6,8,12H,2-4,7H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyYWNMCBZBODELJH-GFCCVEGCSA-N
MW298.29 g/mol
LogP2.52
Rot. Bonds2

About methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate

methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 115536165) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
PubChem CID115536165
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namemethyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-11-6-5-9(15)8-10(11)16/h5-6,8,12H,2-4,7H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyYWNMCBZBODELJH-GFCCVEGCSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
tert-butyl (2S)-1-[(4-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 71914636
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-1-acetylpyrrolidine-2-carboxylate
CID 51925164
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate (CID 115536165) is methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is YWNMCBZBODELJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-21-13(19)12-4-2-3-7-18(12)14(20)17-11-6-5-9(15)8-10(11)16/h5-6,8,12H,2-4,7H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate?
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 115536165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).