3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H24N4O3 — CID 96580259

IUPAC3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCn1ccnc1CC[C@@H]1CCCCN1C(=O)CN1CCOC1=O
InChIInChI=1S/C16H24N4O3/c1-18-9-7-17-14(18)6-5-13-4-2-3-8-20(13)15(21)12-19-10-11-23-16(19)22/h7,9,13H,2-6,8,10-12H2,1H3/t13-/m0/s1
InChIKeyNETFZYQFCRZELN-ZDUSSCGKSA-N
MW320.39 g/mol
LogP1.19
Rot. Bonds5

About 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 96580259) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID96580259
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCn1ccnc1CC[C@@H]1CCCCN1C(=O)CN1CCOC1=O
InChIInChI=1S/C16H24N4O3/c1-18-9-7-17-14(18)6-5-13-4-2-3-8-20(13)15(21)12-19-10-11-23-16(19)22/h7,9,13H,2-6,8,10-12H2,1H3/t13-/m0/s1
InChIKeyNETFZYQFCRZELN-ZDUSSCGKSA-N
XLogP1.19
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70749178
2-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154887228
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95347001
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 110213886
2-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 98060149
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609
1-[2-[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95550989

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 96580259) is 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cn1ccnc1CC[C@@H]1CCCCN1C(=O)CN1CCOC1=O.
What is the InChIKey of 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is NETFZYQFCRZELN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-18-9-7-17-14(18)6-5-13-4-2-3-8-20(13)15(21)12-19-10-11-23-16(19)22/h7,9,13H,2-6,8,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 96580259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).