N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H21N5O2 — CID 6465380

IUPACN-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)20-16(23)13-21-9-11-22(12-10-21)17-18-7-2-8-19-17/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyWMPCTSHHUXDFOT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.25
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 6465380) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID6465380
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)20-16(23)13-21-9-11-22(12-10-21)17-18-7-2-8-19-17/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyWMPCTSHHUXDFOT-UHFFFAOYSA-N
XLogP1.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 131903692
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 6465380) is N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is WMPCTSHHUXDFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)20-16(23)13-21-9-11-22(12-10-21)17-18-7-2-8-19-17/h2-8H,9-13H2,1H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6465380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).