2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C15H32N4O — CID 63343968

IUPAC2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(CN)N1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)12-15(20)17(4)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyUQEHJVSWQDHAPW-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.60
Rot. Bonds7

About 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 63343968) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID63343968
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(CN)N1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)12-15(20)17(4)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyUQEHJVSWQDHAPW-UHFFFAOYSA-N
XLogP0.60
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
CID 55202942
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
CID 63341361
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-(methylcarbamoyl)propanamide
CID 63340073
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341209
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947
methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate
CID 114461406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 63343968) is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CCCC(CN)N1CCN(CC(=O)N(C)C(C)C)CC1.
What is the InChIKey of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is UQEHJVSWQDHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-6-14(11-16)19-9-7-18(8-10-19)12-15(20)17(4)13(2)3/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 284.45 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63343968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).