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

C14H16Cl2N2O3 — CID 108561576

IUPACmethyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-6-4-10(5-7-18)17-13(19)11-8-9(15)2-3-12(11)16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyJHIIWLCJTOISJP-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.95
Rot. Bonds2

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

methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108561576) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID108561576
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Namemethyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-6-4-10(5-7-18)17-13(19)11-8-9(15)2-3-12(11)16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyJHIIWLCJTOISJP-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate (CID 108561576) is methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is JHIIWLCJTOISJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-14(20)18-6-4-10(5-7-18)17-13(19)11-8-9(15)2-3-12(11)16/h2-3,8,10H,4-7H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate?
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 331.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).