1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one

C13H22N4O — CID 112532334

IUPAC1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESNCCc1cn(C(=O)CCN2CCCCC2)cn1
InChIInChI=1S/C13H22N4O/c14-6-4-12-10-17(11-15-12)13(18)5-9-16-7-2-1-3-8-16/h10-11H,1-9,14H2
InChIKeyNKZKRFONWUSSND-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds5

About 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one

1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 112532334) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID112532334
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESNCCc1cn(C(=O)CCN2CCCCC2)cn1
InChIInChI=1S/C13H22N4O/c14-6-4-12-10-17(11-15-12)13(18)5-9-16-7-2-1-3-8-16/h10-11H,1-9,14H2
InChIKeyNKZKRFONWUSSND-UHFFFAOYSA-N
XLogP0.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one (CID 112532334) is 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one is NCCc1cn(C(=O)CCN2CCCCC2)cn1.
What is the InChIKey of 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is NKZKRFONWUSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-6-4-12-10-17(11-15-12)13(18)5-9-16-7-2-1-3-8-16/h10-11H,1-9,14H2.
What are the key properties of 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one?
1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112532334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).