2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide

C22H31N5O2 — CID 8595884

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C22H31N5O2/c1-17-14-18(2)19(3)20(15-17)29-13-5-8-23-21(28)16-26-9-11-27(12-10-26)22-24-6-4-7-25-22/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,23,28)
InChIKeyPOJJTCAVUSYFTK-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide (PubChem CID 8595884) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
PubChem CID8595884
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C22H31N5O2/c1-17-14-18(2)19(3)20(15-17)29-13-5-8-23-21(28)16-26-9-11-27(12-10-26)22-24-6-4-7-25-22/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,23,28)
InChIKeyPOJJTCAVUSYFTK-UHFFFAOYSA-N
XLogP2.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.11
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-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8621939
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135089946
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72933578
4-(2,4-dichlorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539485
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 9482603

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide (CID 8595884) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide is Cc1cc(C)c(C)c(OCCCNC(=O)CN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The InChIKey is POJJTCAVUSYFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17-14-18(2)19(3)20(15-17)29-13-5-8-23-21(28)16-26-9-11-27(12-10-26)22-24-6-4-7-25-22/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,23,28).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide is sourced from PubChem (CID 8595884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).