4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide

C15H30N4O2 — CID 66235852

IUPAC4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyRUKPQVQUUJEMMR-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.65
Rot. Bonds5

About 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide

4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide (PubChem CID 66235852) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
PubChem CID66235852
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyRUKPQVQUUJEMMR-UHFFFAOYSA-N
XLogP-0.65
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide 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 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide (CID 66235852) is 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide is CC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1.
What is the InChIKey of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The InChIKey is RUKPQVQUUJEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).