2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C13H28N4O — CID 43251325

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

About 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 43251325) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID43251325
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(CCCN)CC1
InChIInChI=1S/C13H28N4O/c1-12(2)10-15-13(18)11-17-8-6-16(7-9-17)5-3-4-14/h12H,3-11,14H2,1-2H3,(H,15,18)
InChIKeyFZFHCEDRKVKTFI-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

2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 43251325) is 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(CCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is FZFHCEDRKVKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(2)10-15-13(18)11-17-8-6-16(7-9-17)5-3-4-14/h12H,3-11,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide 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-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43251325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).