1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one

C13H25N3O — CID 172604246

IUPAC1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(CC2CC(N)C2)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)13(17)16-5-3-15(4-6-16)9-11-7-12(14)8-11/h10-12H,3-9,14H2,1-2H3
InChIKeyAOMBSNGKVFNVFB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.52
Rot. Bonds3

About 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 172604246) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID172604246
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(CC2CC(N)C2)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)13(17)16-5-3-15(4-6-16)9-11-7-12(14)8-11/h10-12H,3-9,14H2,1-2H3
InChIKeyAOMBSNGKVFNVFB-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
3-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502799
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897523
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 172604246) is 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(CC2CC(N)C2)CC1.
What is the InChIKey of 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is AOMBSNGKVFNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)13(17)16-5-3-15(4-6-16)9-11-7-12(14)8-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 172604246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).