N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide

C15H15BrClN5O — CID 162647024

IUPACN-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H15BrClN5O/c16-11-1-3-12(4-2-11)19-15(23)22-9-7-21(8-10-22)13-5-6-18-14(17)20-13/h1-6H,7-10H2,(H,19,23)
InChIKeyFNSDQALXNJLPMR-UHFFFAOYSA-N
MW396.68 g/mol
LogP3.25
Rot. Bonds2

About N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide

N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 162647024) has the molecular formula C15H15BrClN5O and a molecular weight of 396.68 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID162647024
Molecular FormulaC15H15BrClN5O
Molecular Weight396.68 g/mol
Exact Mass395.01
IUPAC NameN-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H15BrClN5O/c16-11-1-3-12(4-2-11)19-15(23)22-9-7-21(8-10-22)13-5-6-18-14(17)20-13/h1-6H,7-10H2,(H,19,23)
InChIKeyFNSDQALXNJLPMR-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide (CID 162647024) is N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is FNSDQALXNJLPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN5O/c16-11-1-3-12(4-2-11)19-15(23)22-9-7-21(8-10-22)13-5-6-18-14(17)20-13/h1-6H,7-10H2,(H,19,23).
What are the key properties of N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 396.68 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162647024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).