N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C15H17N5O — CID 736391

IUPACN-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h1-8H,9-12H2,(H,18,21)
InChIKeyLDUSMZINHQWUGO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.83
Rot. Bonds2

About N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 736391) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID736391
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h1-8H,9-12H2,(H,18,21)
InChIKeyLDUSMZINHQWUGO-UHFFFAOYSA-N
XLogP1.83
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 736391) is N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is LDUSMZINHQWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h1-8H,9-12H2,(H,18,21).
What are the key properties of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 736391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).