N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C16H16BrClN4O — CID 21037672

IUPACN-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16BrClN4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23)
InChIKeyROMOAFBMAHWVIA-UHFFFAOYSA-N
MW395.69 g/mol
LogP3.85
Rot. Bonds2

About N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 21037672) has the molecular formula C16H16BrClN4O and a molecular weight of 395.69 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID21037672
Molecular FormulaC16H16BrClN4O
Molecular Weight395.69 g/mol
Exact Mass394.02
IUPAC NameN-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16BrClN4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23)
InChIKeyROMOAFBMAHWVIA-UHFFFAOYSA-N
XLogP3.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-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 N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 21037672) is N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is ROMOAFBMAHWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23).
What are the key properties of N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 395.69 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).