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

C23H29N3O2 — CID 113123776

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-19-7-6-10-22(17-19)26(20(2)27)12-11-23(28)25-15-13-24(14-16-25)18-21-8-4-3-5-9-21/h3-10,17H,11-16,18H2,1-2H3
InChIKeyIZVRBOWSZNNCMU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds6

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide (PubChem CID 113123776) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
PubChem CID113123776
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-19-7-6-10-22(17-19)26(20(2)27)12-11-23(28)25-15-13-24(14-16-25)18-21-8-4-3-5-9-21/h3-10,17H,11-16,18H2,1-2H3
InChIKeyIZVRBOWSZNNCMU-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113128930
N-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-N-(3-methylphenyl)methanesulfonamide
CID 132668830
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113124481
5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
CID 86776999
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide (CID 113123776) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide is CC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(C)c1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide?
The InChIKey is IZVRBOWSZNNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19-7-6-10-22(17-19)26(20(2)27)12-11-23(28)25-15-13-24(14-16-25)18-21-8-4-3-5-9-21/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113123776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).