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

C15H32N4O — CID 63340321

IUPAC3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCCCC(CN)N1CCN(CCC(=O)NC(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-4-5-14(12-16)19-10-8-18(9-11-19)7-6-15(20)17-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,20)
InChIKeyUBDRJZGHBFKPKK-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.65
Rot. Bonds8

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

3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 63340321) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID63340321
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCCCC(CN)N1CCN(CCC(=O)NC(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-4-5-14(12-16)19-10-8-18(9-11-19)7-6-15(20)17-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,20)
InChIKeyUBDRJZGHBFKPKK-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
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-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63343968
3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95338932
4-amino-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66430565
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
CID 66431392
3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
CID 114511182
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 63340321) is 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is CCCC(CN)N1CCN(CCC(=O)NC(C)C)CC1.
What is the InChIKey of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is UBDRJZGHBFKPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-4-5-14(12-16)19-10-8-18(9-11-19)7-6-15(20)17-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,20).
What are the key properties of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 284.45 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63340321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).