2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide

C15H28N4O2 — CID 120502700

IUPAC2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(N)C(C)C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-10(11(2)16)15(21)19-8-6-18(7-9-19)12(3)14(20)17-13-4-5-13/h10-13H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyDTEXLBNBYJECRK-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.22
Rot. Bonds5

About 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 120502700) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID120502700
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(N)C(C)C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-10(11(2)16)15(21)19-8-6-18(7-9-19)12(3)14(20)17-13-4-5-13/h10-13H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyDTEXLBNBYJECRK-UHFFFAOYSA-N
XLogP-0.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 75523124
N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
CID 51329084
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 120502700) is 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(N)C(C)C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is DTEXLBNBYJECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-10(11(2)16)15(21)19-8-6-18(7-9-19)12(3)14(20)17-13-4-5-13/h10-13H,4-9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 296.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 120502700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).