methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate

C15H17ClFNO3 — CID 61009407

IUPACmethyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)14-11(16)6-4-7-12(14)17/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyLJOSCNMHBKUXNV-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate (PubChem CID 61009407) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
PubChem CID61009407
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Namemethyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)14-11(16)6-4-7-12(14)17/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyLJOSCNMHBKUXNV-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
CID 61140064
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549037
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate (CID 61009407) is methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate?
The InChIKey is LJOSCNMHBKUXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)14-11(16)6-4-7-12(14)17/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate has a molecular weight of 313.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61009407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).