N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C17H21Br2N3O2 — CID 55760620

IUPACN-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H21Br2N3O2/c18-13-3-4-14(19)15(11-13)20-16(23)12-5-9-22(10-6-12)17(24)21-7-1-2-8-21/h3-4,11-12H,1-2,5-10H2,(H,20,23)
InChIKeyBYAAAOXXSNAYAD-UHFFFAOYSA-N
MW459.18 g/mol
LogP4.08
Rot. Bonds2

About N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55760620) has the molecular formula C17H21Br2N3O2 and a molecular weight of 459.18 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55760620
Molecular FormulaC17H21Br2N3O2
Molecular Weight459.18 g/mol
Exact Mass457.00
IUPAC NameN-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H21Br2N3O2/c18-13-3-4-14(19)15(11-13)20-16(23)12-5-9-22(10-6-12)17(24)21-7-1-2-8-21/h3-4,11-12H,1-2,5-10H2,(H,20,23)
InChIKeyBYAAAOXXSNAYAD-UHFFFAOYSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55528235
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55760620) is N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1cc(Br)ccc1Br)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is BYAAAOXXSNAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2N3O2/c18-13-3-4-14(19)15(11-13)20-16(23)12-5-9-22(10-6-12)17(24)21-7-1-2-8-21/h3-4,11-12H,1-2,5-10H2,(H,20,23).
What are the key properties of N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 459.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).