1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C16H17BrN4O — CID 46907715

IUPAC1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)14-5-8-19-16(20-14)21-9-6-12(7-10-21)15(18)22/h1-5,8,12H,6-7,9-10H2,(H2,18,22)
InChIKeyZVWJJKQFFSVBGY-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46907715) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46907715
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)14-5-8-19-16(20-14)21-9-6-12(7-10-21)15(18)22/h1-5,8,12H,6-7,9-10H2,(H2,18,22)
InChIKeyZVWJJKQFFSVBGY-UHFFFAOYSA-N
XLogP2.61
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 46907715) is 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1.
What is the InChIKey of 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is ZVWJJKQFFSVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)14-5-8-19-16(20-14)21-9-6-12(7-10-21)15(18)22/h1-5,8,12H,6-7,9-10H2,(H2,18,22).
What are the key properties of 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).