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

C15H19ClN2O3 — CID 61140064

IUPACmethyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)12-6-5-10(16)8-13(12)17/h5-6,8,11H,2-4,7,9,17H2,1H3
InChIKeyRCIIRACHTFENGB-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.48
Rot. Bonds3

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

methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate (PubChem CID 61140064) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
PubChem CID61140064
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)12-6-5-10(16)8-13(12)17/h5-6,8,11H,2-4,7,9,17H2,1H3
InChIKeyRCIIRACHTFENGB-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.48
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-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
[2-(2-bromoethyl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 80666287
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate (CID 61140064) is methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate?
The InChIKey is RCIIRACHTFENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-14(19)9-11-4-2-3-7-18(11)15(20)12-6-5-10(16)8-13(12)17/h5-6,8,11H,2-4,7,9,17H2,1H3.
What are the key properties of methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate has a molecular weight of 310.78 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61140064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).