methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate

C16H20ClFN2O3 — CID 18403489

IUPACmethyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)Cc2c(F)cccc2Cl)CCN1C
InChIInChI=1S/C16H20ClFN2O3/c1-20-7-6-10(8-14(20)16(22)23-2)19-15(21)9-11-12(17)4-3-5-13(11)18/h3-5,10,14H,6-9H2,1-2H3,(H,19,21)
InChIKeyPNKWNXHTJNIQTG-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.77
Rot. Bonds4

About methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate

methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate (PubChem CID 18403489) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate
PubChem CID18403489
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Namemethyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)Cc2c(F)cccc2Cl)CCN1C
InChIInChI=1S/C16H20ClFN2O3/c1-20-7-6-10(8-14(20)16(22)23-2)19-15(21)9-11-12(17)4-3-5-13(11)18/h3-5,10,14H,6-9H2,1-2H3,(H,19,21)
InChIKeyPNKWNXHTJNIQTG-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
methyl (2S)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 41498877
methyl (2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoate
CID 166627827
methyl (2S)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoate
CID 166628777
methyl N-[(2-chloro-6-fluorophenyl)acetyl]glycinate
CID 1241670
2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 2712694
N-{1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-piperidyl}-N'-propyl-N-tetrahydro-2H-pyran-4-ylurea
CID 91906191
3-{4-[2-(2-Chloro-6-fluorophenyl)acetyl]piperazin-1-YL}-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925724
2-(2-Chlorophenyl)-N-[1-(2-methoxyethyl)piperidin-4-YL]acetamide
CID 48432279
Methyl 4-{[2-(2-chlorophenyl)acetamido]methyl}piperidine-1-carboxylate
CID 49688775
methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate
CID 11097169

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate (CID 18403489) is methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate is COC(=O)C1CC(NC(=O)Cc2c(F)cccc2Cl)CCN1C.
What is the InChIKey of methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate?
The InChIKey is PNKWNXHTJNIQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-20-7-6-10(8-14(20)16(22)23-2)19-15(21)9-11-12(17)4-3-5-13(11)18/h3-5,10,14H,6-9H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate?
methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate has a molecular weight of 342.80 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 18403489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).