2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide

C13H28N4O — CID 43252897

IUPAC2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(C)CN)CC1
InChIInChI=1S/C13H28N4O/c1-3-4-15-13(18)11-17-7-5-16(6-8-17)10-12(2)9-14/h12H,3-11,14H2,1-2H3,(H,15,18)
InChIKeyHNCBPVYAPGOGTR-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.28
Rot. Bonds7

About 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide

2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 43252897) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
PubChem CID43252897
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(C)CN)CC1
InChIInChI=1S/C13H28N4O/c1-3-4-15-13(18)11-17-7-5-16(6-8-17)10-12(2)9-14/h12H,3-11,14H2,1-2H3,(H,15,18)
InChIKeyHNCBPVYAPGOGTR-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
CID 63336689
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
CID 55966532
3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
CID 55061438
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43253031
2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 43253014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide (CID 43252897) is 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(CC(C)CN)CC1.
What is the InChIKey of 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is HNCBPVYAPGOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-4-15-13(18)11-17-7-5-16(6-8-17)10-12(2)9-14/h12H,3-11,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 256.39 g/mol, XLogP of -0.28, 7 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-methylpropyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 43252897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).