N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

C21H27N5O3 — CID 113164847

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccc(CCN(CC(=O)N2CCN(c3ncccn3)CC2)C(C)=O)cc1
InChIInChI=1S/C21H27N5O3/c1-17(27)26(11-8-18-4-6-19(29-2)7-5-18)16-20(28)24-12-14-25(15-13-24)21-22-9-3-10-23-21/h3-7,9-10H,8,11-16H2,1-2H3
InChIKeySFHLACJJSRXHPD-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.23
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113164847) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID113164847
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccc(CCN(CC(=O)N2CCN(c3ncccn3)CC2)C(C)=O)cc1
InChIInChI=1S/C21H27N5O3/c1-17(27)26(11-8-18-4-6-19(29-2)7-5-18)16-20(28)24-12-14-25(15-13-24)21-22-9-3-10-23-21/h3-7,9-10H,8,11-16H2,1-2H3
InChIKeySFHLACJJSRXHPD-UHFFFAOYSA-N
XLogP1.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8682026
3-(4-methoxyphenyl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55647017
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205630
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164653
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
3-(4-methoxyanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030451
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113163030
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 113164847) is N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is COc1ccc(CCN(CC(=O)N2CCN(c3ncccn3)CC2)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is SFHLACJJSRXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-17(27)26(11-8-18-4-6-19(29-2)7-5-18)16-20(28)24-12-14-25(15-13-24)21-22-9-3-10-23-21/h3-7,9-10H,8,11-16H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113164847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).