3-(4-acetylpiperazin-1-yl)-N-propylpropanamide

C12H23N3O2 — CID 109011336

IUPAC3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-5-13-12(17)4-6-14-7-9-15(10-8-14)11(2)16/h3-10H2,1-2H3,(H,13,17)
InChIKeyIHUTWTCHMUVFGJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide

3-(4-acetylpiperazin-1-yl)-N-propylpropanamide (PubChem CID 109011336) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
PubChem CID109011336
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-5-13-12(17)4-6-14-7-9-15(10-8-14)11(2)16/h3-10H2,1-2H3,(H,13,17)
InChIKeyIHUTWTCHMUVFGJ-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide (CID 109011336) is 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide is CCCNC(=O)CCN1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide?
The InChIKey is IHUTWTCHMUVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-5-13-12(17)4-6-14-7-9-15(10-8-14)11(2)16/h3-10H2,1-2H3,(H,13,17).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide?
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 109011336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).