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

C16H34N4O — CID 63343532

IUPAC2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCCCC(CN)N1CCN(CC(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C16H34N4O/c1-5-6-15(11-17)20-9-7-19(8-10-20)12-16(21)18-14(4)13(2)3/h13-15H,5-12,17H2,1-4H3,(H,18,21)
InChIKeyPVJVWVYTRJVKIL-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.89
Rot. Bonds8

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

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63343532) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63343532
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCCCC(CN)N1CCN(CC(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C16H34N4O/c1-5-6-15(11-17)20-9-7-19(8-10-20)12-16(21)18-14(4)13(2)3/h13-15H,5-12,17H2,1-4H3,(H,18,21)
InChIKeyPVJVWVYTRJVKIL-UHFFFAOYSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63343968
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
CID 55202942
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
CID 60691255
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 63343532) is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide is CCCC(CN)N1CCN(CC(=O)NC(C)C(C)C)CC1.
What is the InChIKey of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PVJVWVYTRJVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-6-15(11-17)20-9-7-19(8-10-20)12-16(21)18-14(4)13(2)3/h13-15H,5-12,17H2,1-4H3,(H,18,21).
What are the key properties of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 298.47 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63343532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).