4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide

C15H17N5O — CID 135146176

IUPAC4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17N5O/c16-14(21)12-3-1-11(2-4-12)13-9-18-15(19-10-13)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2,(H2,16,21)
InChIKeyDJUYZNAEFPDPGI-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.65
Rot. Bonds3

About 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide

4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 135146176) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
PubChem CID135146176
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17N5O/c16-14(21)12-3-1-11(2-4-12)13-9-18-15(19-10-13)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2,(H2,16,21)
InChIKeyDJUYZNAEFPDPGI-UHFFFAOYSA-N
XLogP0.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mocetinostat
CID 9865515
4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108893
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520962
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide (CID 135146176) is 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide is NC(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is DJUYZNAEFPDPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14(21)12-3-1-11(2-4-12)13-9-18-15(19-10-13)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2,(H2,16,21).
What are the key properties of 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide?
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 283.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 135146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).