[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H26BrN5O — CID 11486272

IUPAC[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ncc(Br)cn3)CC2)CC1
InChIInChI=1S/C17H26BrN5O/c1-13(2)21-7-9-22(10-8-21)16(24)14-3-5-23(6-4-14)17-19-11-15(18)12-20-17/h11-14H,3-10H2,1-2H3
InChIKeyAPHHEJCZOWOLHJ-UHFFFAOYSA-N
MW396.33 g/mol
LogP2.01
Rot. Bonds3

About [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11486272) has the molecular formula C17H26BrN5O and a molecular weight of 396.33 g/mol. Its IUPAC name is [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11486272
Molecular FormulaC17H26BrN5O
Molecular Weight396.33 g/mol
Exact Mass395.13
IUPAC Name[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ncc(Br)cn3)CC2)CC1
InChIInChI=1S/C17H26BrN5O/c1-13(2)21-7-9-22(10-8-21)16(24)14-3-5-23(6-4-14)17-19-11-15(18)12-20-17/h11-14H,3-10H2,1-2H3
InChIKeyAPHHEJCZOWOLHJ-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11486272) is [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCN(c3ncc(Br)cn3)CC2)CC1.
What is the InChIKey of [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is APHHEJCZOWOLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN5O/c1-13(2)21-7-9-22(10-8-21)16(24)14-3-5-23(6-4-14)17-19-11-15(18)12-20-17/h11-14H,3-10H2,1-2H3.
What are the key properties of [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 396.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11486272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).