[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone

C14H20BrN5O — CID 60947880

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O/c15-12-9-17-14(18-10-12)20-7-5-19(6-8-20)13(21)11-1-3-16-4-2-11/h9-11,16H,1-8H2
InChIKeyFKIAJBKBAMFLHL-UHFFFAOYSA-N
MW354.25 g/mol
LogP0.89
Rot. Bonds2

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 60947880) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID60947880
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O/c15-12-9-17-14(18-10-12)20-7-5-19(6-8-20)13(21)11-1-3-16-4-2-11/h9-11,16H,1-8H2
InChIKeyFKIAJBKBAMFLHL-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 11486272
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
2-(azetidin-3-yl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 64610567
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60946563
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63143756
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 60947880) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is FKIAJBKBAMFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c15-12-9-17-14(18-10-12)20-7-5-19(6-8-20)13(21)11-1-3-16-4-2-11/h9-11,16H,1-8H2.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 354.25 g/mol, XLogP of 0.89, 2 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)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 60947880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).