2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide

C22H31N5O2 — CID 86895331

IUPAC2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCCOc1cc(C)nc(N2CCN(CC(=O)NCCCc3ccccc3)CC2)n1
InChIInChI=1S/C22H31N5O2/c1-3-29-21-16-18(2)24-22(25-21)27-14-12-26(13-15-27)17-20(28)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3,(H,23,28)
InChIKeyDEPREPLJBDLKCW-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.05
Rot. Bonds9

About 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide

2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 86895331) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID86895331
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCCOc1cc(C)nc(N2CCN(CC(=O)NCCCc3ccccc3)CC2)n1
InChIInChI=1S/C22H31N5O2/c1-3-29-21-16-18(2)24-22(25-21)27-14-12-26(13-15-27)17-20(28)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3,(H,23,28)
InChIKeyDEPREPLJBDLKCW-UHFFFAOYSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.05
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

3-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122029027
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)acetamide
CID 8993026
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
tert-butyl 4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazine-1-carboxylate
CID 34196422
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 38382602
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 86895330
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135089946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide (CID 86895331) is 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide is CCOc1cc(C)nc(N2CCN(CC(=O)NCCCc3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is DEPREPLJBDLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-3-29-21-16-18(2)24-22(25-21)27-14-12-26(13-15-27)17-20(28)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 86895331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).