ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate

C15H17Cl2NO3 — CID 43404461

IUPACethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO3/c1-2-21-15(20)10-4-3-5-18(9-10)14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyGHFVJQMMWLAJRJ-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.41
Rot. Bonds3

About ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate

ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate (PubChem CID 43404461) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
PubChem CID43404461
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Nameethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO3/c1-2-21-15(20)10-4-3-5-18(9-10)14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyGHFVJQMMWLAJRJ-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 52510977
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
CID 107074308

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate (CID 43404461) is ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is GHFVJQMMWLAJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-2-21-15(20)10-4-3-5-18(9-10)14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate?
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 330.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43404461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).