4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

C22H22BrN5O2 — CID 58462419

IUPAC4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C22H22BrN5O2/c23-18-14-24-21(25-15-18)27-10-12-28(13-11-27)22(29)26-19-6-8-20(9-7-19)30-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,26,29)
InChIKeyOXBOJXNAXUFMNF-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.17
Rot. Bonds5

About 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (PubChem CID 58462419) has the molecular formula C22H22BrN5O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
PubChem CID58462419
Molecular FormulaC22H22BrN5O2
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C22H22BrN5O2/c23-18-14-24-21(25-15-18)27-10-12-28(13-11-27)22(29)26-19-6-8-20(9-7-19)30-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,26,29)
InChIKeyOXBOJXNAXUFMNF-UHFFFAOYSA-N
XLogP4.17
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
methyl 2-[4-[(4-phenylmethoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2811312
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 7189487
5-chloro-N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47038396
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 166495125
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (CID 58462419) is 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OXBOJXNAXUFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O2/c23-18-14-24-21(25-15-18)27-10-12-28(13-11-27)22(29)26-19-6-8-20(9-7-19)30-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,26,29).
What are the key properties of 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 58462419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).