3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H24N4O3 — CID 70712835

IUPAC3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O3/c25-18(15-24-12-13-27-20(24)26)22-9-6-17(7-10-22)19-21-8-11-23(19)14-16-4-2-1-3-5-16/h1-5,8,11,17H,6-7,9-10,12-15H2
InChIKeyKAXAFXUKQAMWHE-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.09
Rot. Bonds5

About 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 70712835) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID70712835
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O3/c25-18(15-24-12-13-27-20(24)26)22-9-6-17(7-10-22)19-21-8-11-23(19)14-16-4-2-1-3-5-16/h1-5,8,11,17H,6-7,9-10,12-15H2
InChIKeyKAXAFXUKQAMWHE-UHFFFAOYSA-N
XLogP2.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72926625
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
3-[2-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 133111541
2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97279082
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 70712835) is 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is KAXAFXUKQAMWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18(15-24-12-13-27-20(24)26)22-9-6-17(7-10-22)19-21-8-11-23(19)14-16-4-2-1-3-5-16/h1-5,8,11,17H,6-7,9-10,12-15H2.
What are the key properties of 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70712835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).