N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide

C15H15BrClN5O — CID 162650863

IUPACN-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H15BrClN5O/c16-11-2-1-3-12(10-11)19-15(23)22-8-6-21(7-9-22)13-4-5-18-14(17)20-13/h1-5,10H,6-9H2,(H,19,23)
InChIKeyCGWRQQJPYYUUMR-UHFFFAOYSA-N
MW396.68 g/mol
LogP3.25
Rot. Bonds2

About N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide

N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 162650863) has the molecular formula C15H15BrClN5O and a molecular weight of 396.68 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID162650863
Molecular FormulaC15H15BrClN5O
Molecular Weight396.68 g/mol
Exact Mass395.01
IUPAC NameN-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H15BrClN5O/c16-11-2-1-3-12(10-11)19-15(23)22-8-6-21(7-9-22)13-4-5-18-14(17)20-13/h1-5,10H,6-9H2,(H,19,23)
InChIKeyCGWRQQJPYYUUMR-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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Related Compounds

N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(2-aminopyrimidin-4-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 117077877
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide (CID 162650863) is N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide is O=C(Nc1cccc(Br)c1)N1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is CGWRQQJPYYUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN5O/c16-11-2-1-3-12(10-11)19-15(23)22-8-6-21(7-9-22)13-4-5-18-14(17)20-13/h1-5,10H,6-9H2,(H,19,23).
What are the key properties of N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide?
N-(3-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-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162650863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).