3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one

C14H22N4O2 — CID 56866786

IUPAC3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=C1CCCN1C1CCCN(CCn2cc[nH]c2=O)C1
InChIInChI=1S/C14H22N4O2/c19-13-4-2-7-18(13)12-3-1-6-16(11-12)9-10-17-8-5-15-14(17)20/h5,8,12H,1-4,6-7,9-11H2,(H,15,20)
InChIKeyIGFXKTBEDHWBDC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.26
Rot. Bonds4

About 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 56866786) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID56866786
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=C1CCCN1C1CCCN(CCn2cc[nH]c2=O)C1
InChIInChI=1S/C14H22N4O2/c19-13-4-2-7-18(13)12-3-1-6-16(11-12)9-10-17-8-5-15-14(17)20/h5,8,12H,1-4,6-7,9-11H2,(H,15,20)
InChIKeyIGFXKTBEDHWBDC-UHFFFAOYSA-N
XLogP0.26
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one (CID 56866786) is 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one is O=C1CCCN1C1CCCN(CCn2cc[nH]c2=O)C1.
What is the InChIKey of 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is IGFXKTBEDHWBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13-4-2-7-18(13)12-3-1-6-16(11-12)9-10-17-8-5-15-14(17)20/h5,8,12H,1-4,6-7,9-11H2,(H,15,20).
What are the key properties of 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 56866786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).