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

C23H29N3O3 — CID 110287343

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-19-7-9-21(10-8-19)29-18-22(27)24-12-11-23(28)26-15-13-25(14-16-26)17-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,24,27)
InChIKeyJELSDJOVHYRDNV-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.22
Rot. Bonds8

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110287343) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
PubChem CID110287343
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-19-7-9-21(10-8-19)29-18-22(27)24-12-11-23(28)26-15-13-25(14-16-26)17-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,24,27)
InChIKeyJELSDJOVHYRDNV-UHFFFAOYSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
1-benzyl-3-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56515712
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106
2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18156952
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide (CID 110287343) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JELSDJOVHYRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-19-7-9-21(10-8-19)29-18-22(27)24-12-11-23(28)26-15-13-25(14-16-26)17-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,24,27).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110287343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).