N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide

C17H25N3O3 — CID 172888950

IUPACN-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide
SMILESC=CC(=O)N1CCN(CC(=O)N[C@@H](CC)c2ccc(C)o2)CC1
InChIInChI=1S/C17H25N3O3/c1-4-14(15-7-6-13(3)23-15)18-16(21)12-19-8-10-20(11-9-19)17(22)5-2/h5-7,14H,2,4,8-12H2,1,3H3,(H,18,21)/t14-/m0/s1
InChIKeyCSAGCCHCAPYDCP-AWEZNQCLSA-N
MW319.41 g/mol
LogP1.49
Rot. Bonds6

About N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide

N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide (PubChem CID 172888950) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide
PubChem CID172888950
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide
SMILESC=CC(=O)N1CCN(CC(=O)N[C@@H](CC)c2ccc(C)o2)CC1
InChIInChI=1S/C17H25N3O3/c1-4-14(15-7-6-13(3)23-15)18-16(21)12-19-8-10-20(11-9-19)17(22)5-2/h5-7,14H,2,4,8-12H2,1,3H3,(H,18,21)/t14-/m0/s1
InChIKeyCSAGCCHCAPYDCP-AWEZNQCLSA-N
XLogP1.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide (CID 172888950) is N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide is C=CC(=O)N1CCN(CC(=O)N[C@@H](CC)c2ccc(C)o2)CC1.
What is the InChIKey of N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide?
The InChIKey is CSAGCCHCAPYDCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-14(15-7-6-13(3)23-15)18-16(21)12-19-8-10-20(11-9-19)17(22)5-2/h5-7,14H,2,4,8-12H2,1,3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide?
N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylfuran-2-yl)propyl]-2-(4-prop-2-enoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 172888950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).