2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide

C12H24N4O2 — CID 119833921

IUPAC2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CCN)CC1
InChIInChI=1S/C12H24N4O2/c1-10(2)14-11(17)9-15-5-7-16(8-6-15)12(18)3-4-13/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyQUKVQQMQJGNHAC-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.00
Rot. Bonds5

About 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 119833921) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID119833921
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CCN)CC1
InChIInChI=1S/C12H24N4O2/c1-10(2)14-11(17)9-15-5-7-16(8-6-15)12(18)3-4-13/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyQUKVQQMQJGNHAC-UHFFFAOYSA-N
XLogP-1.00
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833858
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8540438
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 119833921) is 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)CCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QUKVQQMQJGNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(2)14-11(17)9-15-5-7-16(8-6-15)12(18)3-4-13/h10H,3-9,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 256.35 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 119833921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).