1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one

C11H18N4O — CID 43556194

IUPAC1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESNC1CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C11H18N4O/c12-10-1-6-15(7-2-10)11(16)3-5-14-8-4-13-9-14/h4,8-10H,1-3,5-7,12H2
InChIKeyRROMJQIXRBYUON-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one

1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one (PubChem CID 43556194) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
PubChem CID43556194
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESNC1CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C11H18N4O/c12-10-1-6-15(7-2-10)11(16)3-5-14-8-4-13-9-14/h4,8-10H,1-3,5-7,12H2
InChIKeyRROMJQIXRBYUON-UHFFFAOYSA-N
XLogP0.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one (CID 43556194) is 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one is NC1CCN(C(=O)CCn2ccnc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is RROMJQIXRBYUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-1-6-15(7-2-10)11(16)3-5-14-8-4-13-9-14/h4,8-10H,1-3,5-7,12H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 43556194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).