2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide

C15H26N4O2 — CID 116676184

IUPAC2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C(C)=C2CNC2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-4-17-14(20)11-18-5-7-19(8-6-18)15(21)12(2)13-9-16-10-13/h16H,3-11H2,1-2H3,(H,17,20)
InChIKeyPAAMIGWYJUNYBN-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.42
Rot. Bonds5

About 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 116676184) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID116676184
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C(C)=C2CNC2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-4-17-14(20)11-18-5-7-19(8-6-18)15(21)12(2)13-9-16-10-13/h16H,3-11H2,1-2H3,(H,17,20)
InChIKeyPAAMIGWYJUNYBN-UHFFFAOYSA-N
XLogP-0.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-[2-(azetidin-3-ylidene)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 116676609
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
CID 63336689
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
CID 55966532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide (CID 116676184) is 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C(C)=C2CNC2)CC1.
What is the InChIKey of 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is PAAMIGWYJUNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-17-14(20)11-18-5-7-19(8-6-18)15(21)12(2)13-9-16-10-13/h16H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 294.40 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azetidin-3-ylidene)propanoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 116676184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).