4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one

C12H16N4O3 — CID 126809634

IUPAC4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(C(=O)N2CCC(n3ccnc3)CC2)CO1
InChIInChI=1S/C12H16N4O3/c17-11(10-7-19-12(18)14-10)15-4-1-9(2-5-15)16-6-3-13-8-16/h3,6,8-10H,1-2,4-5,7H2,(H,14,18)
InChIKeySUTXKEIXVIYKIJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.16
Rot. Bonds2

About 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one

4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 126809634) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
PubChem CID126809634
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(C(=O)N2CCC(n3ccnc3)CC2)CO1
InChIInChI=1S/C12H16N4O3/c17-11(10-7-19-12(18)14-10)15-4-1-9(2-5-15)16-6-3-13-8-16/h3,6,8-10H,1-2,4-5,7H2,(H,14,18)
InChIKeySUTXKEIXVIYKIJ-UHFFFAOYSA-N
XLogP0.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 119868706
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119868735
[(2S,3aS,7aS)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 98857729
[(2S,3aR,7aR)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 124856904
(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 138993158
2-amino-4-(4-imidazol-1-ylpiperidin-1-yl)-4-oxobutanoic acid
CID 70945433
4-imidazol-1-ylpiperidine-1-carbaldehyde
CID 56980966
benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
CID 166253195

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one (CID 126809634) is 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one is O=C1NC(C(=O)N2CCC(n3ccnc3)CC2)CO1.
What is the InChIKey of 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is SUTXKEIXVIYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-11(10-7-19-12(18)14-10)15-4-1-9(2-5-15)16-6-3-13-8-16/h3,6,8-10H,1-2,4-5,7H2,(H,14,18).
What are the key properties of 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 126809634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).