1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one

C12H24N4O — CID 55260993

IUPAC1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCC(N)C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C12H24N4O/c1-10(13)11-2-5-15(6-3-11)8-9-16-7-4-14-12(16)17/h10-11H,2-9,13H2,1H3,(H,14,17)
InChIKeyMPDQJLXBXKZMCW-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 55260993) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID55260993
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCC(N)C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C12H24N4O/c1-10(13)11-2-5-15(6-3-11)8-9-16-7-4-14-12(16)17/h10-11H,2-9,13H2,1H3,(H,14,17)
InChIKeyMPDQJLXBXKZMCW-UHFFFAOYSA-N
XLogP0.07
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 55260993) is 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is CC(N)C1CCN(CCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is MPDQJLXBXKZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(13)11-2-5-15(6-3-11)8-9-16-7-4-14-12(16)17/h10-11H,2-9,13H2,1H3,(H,14,17).
What are the key properties of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 55260993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).