1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C17H23BrClN3O — CID 71844482

IUPAC1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C17H23BrClN3O/c18-13-3-4-15(19)12(10-13)11-21-8-5-14(6-9-21)22-7-1-2-16(22)17(20)23/h3-4,10,14,16H,1-2,5-9,11H2,(H2,20,23)
InChIKeyHGLHRJRYZNSWIB-UHFFFAOYSA-N
MW400.75 g/mol
LogP3.02
Rot. Bonds4

About 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 71844482) has the molecular formula C17H23BrClN3O and a molecular weight of 400.75 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID71844482
Molecular FormulaC17H23BrClN3O
Molecular Weight400.75 g/mol
Exact Mass399.07
IUPAC Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C17H23BrClN3O/c18-13-3-4-15(19)12(10-13)11-21-8-5-14(6-9-21)22-7-1-2-16(22)17(20)23/h3-4,10,14,16H,1-2,5-9,11H2,(H2,20,23)
InChIKeyHGLHRJRYZNSWIB-UHFFFAOYSA-N
XLogP3.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 71844482) is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is HGLHRJRYZNSWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClN3O/c18-13-3-4-15(19)12(10-13)11-21-8-5-14(6-9-21)22-7-1-2-16(22)17(20)23/h3-4,10,14,16H,1-2,5-9,11H2,(H2,20,23).
What are the key properties of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 400.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71844482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).