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

C17H18Cl2N4O2 — CID 90544493

IUPAC2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H18Cl2N4O2/c18-12-4-5-14(13(19)8-12)25-10-17(24)22-15-9-16(21-11-20-15)23-6-2-1-3-7-23/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21,22,24)
InChIKeyQOBWDYSKCPYUJW-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.79
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544493) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544493
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H18Cl2N4O2/c18-12-4-5-14(13(19)8-12)25-10-17(24)22-15-9-16(21-11-20-15)23-6-2-1-3-7-23/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21,22,24)
InChIKeyQOBWDYSKCPYUJW-UHFFFAOYSA-N
XLogP3.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(2,4-dichlorophenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349361
2-(2,4-dichlorophenoxy)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287476
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544517
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 30267448

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (CID 90544493) is 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is QOBWDYSKCPYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-12-4-5-14(13(19)8-12)25-10-17(24)22-15-9-16(21-11-20-15)23-6-2-1-3-7-23/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 381.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).