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

C13H24N4O2 — CID 119833858

IUPAC2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C13H24N4O2/c1-10(2)15-11(18)9-16-5-7-17(8-6-16)12(19)13(14)3-4-13/h10H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyYDSDXJJRFYAQBX-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.85
Rot. Bonds4

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

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 119833858) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID119833858
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C13H24N4O2/c1-10(2)15-11(18)9-16-5-7-17(8-6-16)12(19)13(14)3-4-13/h10H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyYDSDXJJRFYAQBX-UHFFFAOYSA-N
XLogP-0.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-N-methylacetamide
CID 60936918
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
CID 119835232
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 119833858) is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)C2(N)CC2)CC1.
What is the InChIKey of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YDSDXJJRFYAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)15-11(18)9-16-5-7-17(8-6-16)12(19)13(14)3-4-13/h10H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 268.36 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 119833858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).