2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

C20H27N5O2 — CID 39539907

IUPAC2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-17-4-6-18(7-5-17)27-16-19(26)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4-9H,3,10-16H2,1H3,(H,21,26)
InChIKeySWUGVRYXXSHCAU-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.49
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 39539907) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID39539907
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-17-4-6-18(7-5-17)27-16-19(26)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4-9H,3,10-16H2,1H3,(H,21,26)
InChIKeySWUGVRYXXSHCAU-UHFFFAOYSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 55932425
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
2-(2-chloro-4-phenylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413725
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
3-(4-methoxyphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39541065
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223132
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 39539907) is 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is Cc1ccc(OCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is SWUGVRYXXSHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-17-4-6-18(7-5-17)27-16-19(26)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4-9H,3,10-16H2,1H3,(H,21,26).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 39539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).