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

C15H18ClNO3 — CID 142714825

IUPACmethyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO3/c1-20-14(18)10-11-6-8-17(9-7-11)15(19)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3
InChIKeyMENNKXIJZITXTE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.76
Rot. Bonds3

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

methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate (PubChem CID 142714825) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
PubChem CID142714825
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO3/c1-20-14(18)10-11-6-8-17(9-7-11)15(19)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3
InChIKeyMENNKXIJZITXTE-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
methyl 1-(2-chlorobenzoyl)-5-oxoazepane-4-carboxylate
CID 84579588
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate (CID 142714825) is methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate?
The InChIKey is MENNKXIJZITXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-20-14(18)10-11-6-8-17(9-7-11)15(19)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3.
What are the key properties of methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate?
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate has a molecular weight of 295.77 g/mol, XLogP of 2.76, 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-chlorobenzoyl)piperidin-4-yl]acetate is sourced from PubChem (CID 142714825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).