methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate

C17H22FNO4 — CID 60520937

IUPACmethyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C17H22FNO4/c1-22-17(21)12-14-4-2-3-10-19(14)16(20)9-11-23-15-7-5-13(18)6-8-15/h5-8,14H,2-4,9-12H2,1H3
InChIKeyLMUNMRKYWTUWAE-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate

methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate (PubChem CID 60520937) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
PubChem CID60520937
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C17H22FNO4/c1-22-17(21)12-14-4-2-3-10-19(14)16(20)9-11-23-15-7-5-13(18)6-8-15/h5-8,14H,2-4,9-12H2,1H3
InChIKeyLMUNMRKYWTUWAE-UHFFFAOYSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
CID 78901290
3-amino-N-[[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578777
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
4-(4-fluorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 66261072
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
CID 52811665
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate (CID 60520937) is methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CCOc1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate?
The InChIKey is LMUNMRKYWTUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-22-17(21)12-14-4-2-3-10-19(14)16(20)9-11-23-15-7-5-13(18)6-8-15/h5-8,14H,2-4,9-12H2,1H3.
What are the key properties of methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate has a molecular weight of 323.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 60520937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).