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

C17H23N3O3 — CID 113123354

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-14(21)18-10-12-19(13-11-18)17(23)8-9-20(15(2)22)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeySNXHLNFTDPDKAP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.12
Rot. Bonds4

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

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide (PubChem CID 113123354) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
PubChem CID113123354
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-14(21)18-10-12-19(13-11-18)17(23)8-9-20(15(2)22)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeySNXHLNFTDPDKAP-UHFFFAOYSA-N
XLogP1.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129834
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
CID 113123776
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
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-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide (CID 113123354) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide is CC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide?
The InChIKey is SNXHLNFTDPDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-14(21)18-10-12-19(13-11-18)17(23)8-9-20(15(2)22)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.12, 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-phenylacetamide is sourced from PubChem (CID 113123354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).