2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

C17H19ClN4O — CID 90544473

IUPAC2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H19ClN4O/c18-14-6-4-13(5-7-14)10-17(23)21-15-11-16(20-12-19-15)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2,(H,19,20,21,23)
InChIKeyIXRRVNOEUJFNQH-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544473) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544473
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H19ClN4O/c18-14-6-4-13(5-7-14)10-17(23)21-15-11-16(20-12-19-15)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2,(H,19,20,21,23)
InChIKeyIXRRVNOEUJFNQH-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544493
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (CID 90544473) is 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is IXRRVNOEUJFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-6-4-13(5-7-14)10-17(23)21-15-11-16(20-12-19-15)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2,(H,19,20,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).