2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

C18H21ClN4O2 — CID 53164705

IUPAC2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-6-5-13(16(19)10-15)9-17(24)22-14-11-20-18(21-12-14)23-7-3-2-4-8-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)
InChIKeyBEMHSNXSHDWJRK-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 53164705) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID53164705
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-6-5-13(16(19)10-15)9-17(24)22-14-11-20-18(21-12-14)23-7-3-2-4-8-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)
InChIKeyBEMHSNXSHDWJRK-UHFFFAOYSA-N
XLogP3.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-(4-acetamidophenyl)-2-(2-chloro-4-methoxyphenyl)acetamide
CID 110770008
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (CID 53164705) is 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is COc1ccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is BEMHSNXSHDWJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-15-6-5-13(16(19)10-15)9-17(24)22-14-11-20-18(21-12-14)23-7-3-2-4-8-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 360.85 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 53164705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).