methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate

C15H18ClNO4 — CID 79835628

IUPACmethyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18ClNO4/c1-20-13-7-6-10(16)9-11(13)14(18)17-8-4-3-5-12(17)15(19)21-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m1/s1
InChIKeyCTODBFCUZQIDJN-GFCCVEGCSA-N
MW311.76 g/mol
LogP2.52
Rot. Bonds3

About methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate (PubChem CID 79835628) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
PubChem CID79835628
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Namemethyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18ClNO4/c1-20-13-7-6-10(16)9-11(13)14(18)17-8-4-3-5-12(17)15(19)21-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m1/s1
InChIKeyCTODBFCUZQIDJN-GFCCVEGCSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate 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

methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1270397
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
methyl 1-(5-chloro-2-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970982
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate (CID 79835628) is methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate?
The InChIKey is CTODBFCUZQIDJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-20-13-7-6-10(16)9-11(13)14(18)17-8-4-3-5-12(17)15(19)21-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate has a molecular weight of 311.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79835628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).