methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate

C15H17Cl2NO4 — CID 51219311

IUPACmethyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO4/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-5-3-9(4-6-18)15(20)22-2/h7-9H,3-6H2,1-2H3
InChIKeyLTNGBQDHYUNVMC-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.03
Rot. Bonds3

About methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate

methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 51219311) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID51219311
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Namemethyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO4/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-5-3-9(4-6-18)15(20)22-2/h7-9H,3-6H2,1-2H3
InChIKeyLTNGBQDHYUNVMC-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-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

1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63030947
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
1-(3,5-dichloro-4-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485465
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 9225736
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate
CID 47089868
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
ethyl (3S)-1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 52510977
methyl 1-(2,6-dibromo-3,4,5-trimethoxybenzoyl)piperidine-4-carboxylate
CID 108754967

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate (CID 51219311) is methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1.
What is the InChIKey of methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is LTNGBQDHYUNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-5-3-9(4-6-18)15(20)22-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate?
methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 346.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 51219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).