3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide

C16H27N3O3 — CID 108944903

IUPAC3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-13(20)18-8-10-19(11-9-18)16(22)12-15(21)17-14-6-4-2-3-5-7-14/h14H,2-12H2,1H3,(H,17,21)
InChIKeyGIEBZXKBFAMEFS-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.91
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide (PubChem CID 108944903) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
PubChem CID108944903
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-13(20)18-8-10-19(11-9-18)16(22)12-15(21)17-14-6-4-2-3-5-7-14/h14H,2-12H2,1H3,(H,17,21)
InChIKeyGIEBZXKBFAMEFS-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944377
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 40587829
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-cyclododecylpropanamide
CID 2784600

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide (CID 108944903) is 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide is CC(=O)N1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide?
The InChIKey is GIEBZXKBFAMEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13(20)18-8-10-19(11-9-18)16(22)12-15(21)17-14-6-4-2-3-5-7-14/h14H,2-12H2,1H3,(H,17,21).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide has a molecular weight of 309.41 g/mol, XLogP of 0.91, 3 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-cycloheptyl-3-oxopropanamide is sourced from PubChem (CID 108944903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).