2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide

C13H28N4O — CID 43253225

IUPAC2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCCC(CCN)N1CCN(C(C)C(=O)NC)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(5-6-14)17-9-7-16(8-10-17)11(2)13(18)15-3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyWBPJAKODIOFBRZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

About 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide

2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 43253225) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
PubChem CID43253225
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCCC(CCN)N1CCN(C(C)C(=O)NC)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(5-6-14)17-9-7-16(8-10-17)11(2)13(18)15-3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyWBPJAKODIOFBRZ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide (CID 43253225) is 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide is CCC(CCN)N1CCN(C(C)C(=O)NC)CC1.
What is the InChIKey of 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is WBPJAKODIOFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-12(5-6-14)17-9-7-16(8-10-17)11(2)13(18)15-3/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide?
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 43253225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).