2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one

C15H26N4O — CID 66131489

IUPAC2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
SMILESCC(C)n1cncc1CC(CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)19-11-17-10-14(19)8-13(9-16)15(20)18-6-4-3-5-7-18/h10-13H,3-9,16H2,1-2H3
InChIKeyLGMDGQNPLQUXJZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.59
Rot. Bonds5

About 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one

2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one (PubChem CID 66131489) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
PubChem CID66131489
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
SMILESCC(C)n1cncc1CC(CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)19-11-17-10-14(19)8-13(9-16)15(20)18-6-4-3-5-7-18/h10-13H,3-9,16H2,1-2H3
InChIKeyLGMDGQNPLQUXJZ-UHFFFAOYSA-N
XLogP1.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-chloro-2-(3-propan-2-ylimidazol-4-yl)ethanone
CID 66164349
2-(aminomethyl)-1-(azepan-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 79584553
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
CID 115990294
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
2-(aminomethyl)-3-(3,5-difluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 106531741
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
CID 114281945
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 62082608
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one?
The IUPAC name of 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one (CID 66131489) is 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one is CC(C)n1cncc1CC(CN)C(=O)N1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one?
The InChIKey is LGMDGQNPLQUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-11-17-10-14(19)8-13(9-16)15(20)18-6-4-3-5-7-18/h10-13H,3-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one?
2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one is sourced from PubChem (CID 66131489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).