1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone

C17H30N4O — CID 121306931

IUPAC1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESC=C1N(CC2CCN(C(C)=O)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C17H30N4O/c1-12(2)10-17(5)13(3)21(16(18)19-17)11-15-6-8-20(9-7-15)14(4)22/h12,15H,3,6-11H2,1-2,4-5H3,(H2,18,19)
InChIKeyIUSFTFVGXSQGGC-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.19
Rot. Bonds4

About 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 121306931) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID121306931
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESC=C1N(CC2CCN(C(C)=O)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C17H30N4O/c1-12(2)10-17(5)13(3)21(16(18)19-17)11-15-6-8-20(9-7-15)14(4)22/h12,15H,3,6-11H2,1-2,4-5H3,(H2,18,19)
InChIKeyIUSFTFVGXSQGGC-UHFFFAOYSA-N
XLogP2.19
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 121306931) is 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone is C=C1N(CC2CCN(C(C)=O)CC2)C(N)=NC1(C)CC(C)C.
What is the InChIKey of 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is IUSFTFVGXSQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)10-17(5)13(3)21(16(18)19-17)11-15-6-8-20(9-7-15)14(4)22/h12,15H,3,6-11H2,1-2,4-5H3,(H2,18,19).
What are the key properties of 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 306.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121306931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).