methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate

C14H16F2N2O3 — CID 78915679

IUPACmethyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-21-13(19)9-3-2-6-18(8-9)14(20)17-12-5-4-10(15)7-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyQGFOIVRLZMAGJB-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.38
Rot. Bonds2

About methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate

methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 78915679) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID78915679
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namemethyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-21-13(19)9-3-2-6-18(8-9)14(20)17-12-5-4-10(15)7-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyQGFOIVRLZMAGJB-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 125139865
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate (CID 78915679) is methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is QGFOIVRLZMAGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-21-13(19)9-3-2-6-18(8-9)14(20)17-12-5-4-10(15)7-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,20).
What are the key properties of methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate?
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 78915679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).