N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide

C26H33N3O4 — CID 84561869

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C26H33N3O4/c1-32-23-9-5-6-10-24(23)33-20-26(31)29(22-11-12-22)14-13-25(30)28-17-15-27(16-18-28)19-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3
InChIKeyGKEVADCTRBIIBB-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.80
Rot. Bonds10

About N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide (PubChem CID 84561869) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
PubChem CID84561869
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C26H33N3O4/c1-32-23-9-5-6-10-24(23)33-20-26(31)29(22-11-12-22)14-13-25(30)28-17-15-27(16-18-28)19-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3
InChIKeyGKEVADCTRBIIBB-UHFFFAOYSA-N
XLogP2.80
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
N-cyclopropyl-2-(2-methoxyphenoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 84561838
1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
CID 84565797
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide (CID 84561869) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide?
The InChIKey is GKEVADCTRBIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-32-23-9-5-6-10-24(23)33-20-26(31)29(22-11-12-22)14-13-25(30)28-17-15-27(16-18-28)19-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide has a molecular weight of 451.57 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 84561869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).