1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

C14H24N4O — CID 67547014

IUPAC1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(n2cnc(N)c2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)8-13(19)17-6-4-11(5-7-17)18-9-12(15)16-10-18/h9-11H,4-8,15H2,1-3H3
InChIKeyKZDCYZGNKPSMFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 67547014) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID67547014
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(n2cnc(N)c2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)8-13(19)17-6-4-11(5-7-17)18-9-12(15)16-10-18/h9-11H,4-8,15H2,1-3H3
InChIKeyKZDCYZGNKPSMFS-UHFFFAOYSA-N
XLogP2.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 67547014) is 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(n2cnc(N)c2)CC1.
What is the InChIKey of 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is KZDCYZGNKPSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)8-13(19)17-6-4-11(5-7-17)18-9-12(15)16-10-18/h9-11H,4-8,15H2,1-3H3.
What are the key properties of 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 67547014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).