methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate

C15H19FN2O3 — CID 62682417

IUPACmethyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)10-5-6-13(17)12(16)8-10/h5-6,8,11H,2-4,7,9,17H2,1H3
InChIKeyYQSSCYYQWYLQRE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.97
Rot. Bonds3

About methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate (PubChem CID 62682417) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
PubChem CID62682417
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)10-5-6-13(17)12(16)8-10/h5-6,8,11H,2-4,7,9,17H2,1H3
InChIKeyYQSSCYYQWYLQRE-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
CID 61140064
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]piperidin-2-yl]acetate
CID 15986844
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate (CID 62682417) is methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate?
The InChIKey is YQSSCYYQWYLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)10-5-6-13(17)12(16)8-10/h5-6,8,11H,2-4,7,9,17H2,1H3.
What are the key properties of methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate has a molecular weight of 294.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 62682417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).