1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide

C10H13BrN4O — CID 46907712

IUPAC1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H13BrN4O/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(12)16/h5-7H,1-4H2,(H2,12,16)
InChIKeyIQEKFMHTHZFUKM-UHFFFAOYSA-N
MW285.14 g/mol
LogP0.94
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide

1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 46907712) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID46907712
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H13BrN4O/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(12)16/h5-7H,1-4H2,(H2,12,16)
InChIKeyIQEKFMHTHZFUKM-UHFFFAOYSA-N
XLogP0.94
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide (CID 46907712) is 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is IQEKFMHTHZFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-8-5-13-10(14-6-8)15-3-1-7(2-4-15)9(12)16/h5-7H,1-4H2,(H2,12,16).
What are the key properties of 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide?
1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46907712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).