N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide

C15H31N3O — CID 64978759

IUPACN-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
SMILESCCC1CN(C(C)C(=O)NC(C)(C)C)C(CC)CN1
InChIInChI=1S/C15H31N3O/c1-7-12-10-18(13(8-2)9-16-12)11(3)14(19)17-15(4,5)6/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyHMEAITMZYORMIS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.75
Rot. Bonds4

About N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide

N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide (PubChem CID 64978759) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
PubChem CID64978759
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
SMILESCCC1CN(C(C)C(=O)NC(C)(C)C)C(CC)CN1
InChIInChI=1S/C15H31N3O/c1-7-12-10-18(13(8-2)9-16-12)11(3)14(19)17-15(4,5)6/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyHMEAITMZYORMIS-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide?
The IUPAC name of N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide (CID 64978759) is N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide is CCC1CN(C(C)C(=O)NC(C)(C)C)C(CC)CN1.
What is the InChIKey of N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide?
The InChIKey is HMEAITMZYORMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-7-12-10-18(13(8-2)9-16-12)11(3)14(19)17-15(4,5)6/h11-13,16H,7-10H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide?
N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 64978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).