methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate

C15H18FNO3 — CID 78919144

IUPACmethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO3/c1-20-15(19)12-5-3-7-17(10-12)14(18)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeySCCZYSHFJKWVBY-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.78
Rot. Bonds3

About methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate

methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate (PubChem CID 78919144) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
PubChem CID78919144
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namemethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO3/c1-20-15(19)12-5-3-7-17(10-12)14(18)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeySCCZYSHFJKWVBY-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
CID 78919018
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094
methyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate
CID 78918834
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate (CID 78919144) is methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is SCCZYSHFJKWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-20-15(19)12-5-3-7-17(10-12)14(18)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3.
What are the key properties of methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).