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

C18H25N3O3 — CID 113123942

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-14-4-6-17(7-5-14)21(16(3)23)9-8-18(24)20-12-10-19(11-13-20)15(2)22/h4-7H,8-13H2,1-3H3
InChIKeyHMJKURHNESVQRM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.43
Rot. Bonds4

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

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide (PubChem CID 113123942) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
PubChem CID113123942
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-14-4-6-17(7-5-14)21(16(3)23)9-8-18(24)20-12-10-19(11-13-20)15(2)22/h4-7H,8-13H2,1-3H3
InChIKeyHMJKURHNESVQRM-UHFFFAOYSA-N
XLogP1.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129834
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123983
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
N-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113124481

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide (CID 113123942) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide is CC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The InChIKey is HMJKURHNESVQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-4-6-17(7-5-14)21(16(3)23)9-8-18(24)20-12-10-19(11-13-20)15(2)22/h4-7H,8-13H2,1-3H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).