3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one

C15H20N4O — CID 125156413

IUPAC3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C15H20N4O/c20-15-17-8-10-19(15)12-11-18-9-4-2-6-14(18)13-5-1-3-7-16-13/h1,3,5,7-8,10,14H,2,4,6,9,11-12H2,(H,17,20)/t14-/m0/s1
InChIKeyJJDRDYRMEWSAGK-AWEZNQCLSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds4

About 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 125156413) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID125156413
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCCC[C@H]1c1ccccn1
InChIInChI=1S/C15H20N4O/c20-15-17-8-10-19(15)12-11-18-9-4-2-6-14(18)13-5-1-3-7-16-13/h1,3,5,7-8,10,14H,2,4,6,9,11-12H2,(H,17,20)/t14-/m0/s1
InChIKeyJJDRDYRMEWSAGK-AWEZNQCLSA-N
XLogP1.80
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one (CID 125156413) is 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCCC[C@H]1c1ccccn1.
What is the InChIKey of 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is JJDRDYRMEWSAGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15-17-8-10-19(15)12-11-18-9-4-2-6-14(18)13-5-1-3-7-16-13/h1,3,5,7-8,10,14H,2,4,6,9,11-12H2,(H,17,20)/t14-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 125156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).