2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

C15H28N4O2 — CID 60940277

IUPAC2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(N)C(C)CC)CC1
InChIInChI=1S/C15H28N4O2/c1-4-6-17-13(20)11-18-7-9-19(10-8-18)15(21)14(16)12(3)5-2/h4,12,14H,1,5-11,16H2,2-3H3,(H,17,20)
InChIKeyQZMZQWLESDOMRM-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.19
Rot. Bonds7

About 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 60940277) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID60940277
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(N)C(C)CC)CC1
InChIInChI=1S/C15H28N4O2/c1-4-6-17-13(20)11-18-7-9-19(10-8-18)15(21)14(16)12(3)5-2/h4,12,14H,1,5-11,16H2,2-3H3,(H,17,20)
InChIKeyQZMZQWLESDOMRM-UHFFFAOYSA-N
XLogP-0.19
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 60940277) is 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)C(N)C(C)CC)CC1.
What is the InChIKey of 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is QZMZQWLESDOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-6-17-13(20)11-18-7-9-19(10-8-18)15(21)14(16)12(3)5-2/h4,12,14H,1,5-11,16H2,2-3H3,(H,17,20).
What are the key properties of 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 296.42 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 60940277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).