3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

C17H19ClN4O — CID 91966623

IUPAC3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O/c18-14-6-4-5-13(11-14)17(23)20-12-15-19-8-7-16(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23)
InChIKeySYPPQCWSABVJKV-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.05
Rot. Bonds4

About 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 91966623) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID91966623
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O/c18-14-6-4-5-13(11-14)17(23)20-12-15-19-8-7-16(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23)
InChIKeySYPPQCWSABVJKV-UHFFFAOYSA-N
XLogP3.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122317482
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317533
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 91966623) is 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is O=C(NCc1nccc(N2CCCCC2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is SYPPQCWSABVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-6-4-5-13(11-14)17(23)20-12-15-19-8-7-16(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23).
What are the key properties of 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91966623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).