butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate

C17H22Cl2N2O3 — CID 108561579

IUPACbutyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-2-3-10-24-17(23)21-8-6-13(7-9-21)20-16(22)14-11-12(18)4-5-15(14)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyWVSUFPUCBDDYRJ-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.12
Rot. Bonds5

About butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate

butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108561579) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID108561579
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Namebutyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-2-3-10-24-17(23)21-8-6-13(7-9-21)20-16(22)14-11-12(18)4-5-15(14)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyWVSUFPUCBDDYRJ-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate (CID 108561579) is butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is WVSUFPUCBDDYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-2-3-10-24-17(23)21-8-6-13(7-9-21)20-16(22)14-11-12(18)4-5-15(14)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,22).
What are the key properties of butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 373.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).