2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide

C15H31N3O — CID 3229477

IUPAC2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)N(C(C)C)C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-7-16-8-10-17(11-9-16)14(6)15(19)18(12(2)3)13(4)5/h12-14H,7-11H2,1-6H3
InChIKeyBABAQWACRPWCAH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.66
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide

2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (PubChem CID 3229477) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
PubChem CID3229477
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)N(C(C)C)C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-7-16-8-10-17(11-9-16)14(6)15(19)18(12(2)3)13(4)5/h12-14H,7-11H2,1-6H3
InChIKeyBABAQWACRPWCAH-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide 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 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (CID 3229477) is 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is CCN1CCN(C(C)C(=O)N(C(C)C)C(C)C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The InChIKey is BABAQWACRPWCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-7-16-8-10-17(11-9-16)14(6)15(19)18(12(2)3)13(4)5/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 3229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).