N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C15H29N3O2 — CID 51244020

IUPACN-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)14(20)18-9-7-17(8-10-18)12(3)13(19)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,19)
InChIKeyASJQBJOPNCXTGT-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.09
Rot. Bonds3

About N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 51244020) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID51244020
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)14(20)18-9-7-17(8-10-18)12(3)13(19)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,19)
InChIKeyASJQBJOPNCXTGT-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 51244020) is N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CC(C)C(=O)N1CCN(C(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is ASJQBJOPNCXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)14(20)18-9-7-17(8-10-18)12(3)13(19)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51244020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).