3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C16H17ClN4O — CID 90544619

IUPAC3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-6-4-5-12(9-13)16(22)20-14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,18,19,20,22)
InChIKeyZZQCJLQMJHLNHB-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.37
Rot. Bonds3

About 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 90544619) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID90544619
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-6-4-5-12(9-13)16(22)20-14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,18,19,20,22)
InChIKeyZZQCJLQMJHLNHB-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
CID 90544570
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 90544619) is 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is ZZQCJLQMJHLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-6-4-5-12(9-13)16(22)20-14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,18,19,20,22).
What are the key properties of 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).