methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate

C12H21N3O3 — CID 116980345

IUPACmethyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C2CCN(C)CC2)NC1=O
InChIInChI=1S/C12H21N3O3/c1-14-5-3-9(4-6-14)10-7-15(12(17)13-10)8-11(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,17)
InChIKeyCAQJFPKORAOUIR-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.10
Rot. Bonds3

About methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate

methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate (PubChem CID 116980345) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
PubChem CID116980345
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C2CCN(C)CC2)NC1=O
InChIInChI=1S/C12H21N3O3/c1-14-5-3-9(4-6-14)10-7-15(12(17)13-10)8-11(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,17)
InChIKeyCAQJFPKORAOUIR-UHFFFAOYSA-N
XLogP-0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate
CID 123254260
4-(1-methylpiperidin-4-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979093
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
CID 116980330
methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
CID 54759045
methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116982587
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
4-cyclohexyl-1-ethylimidazolidin-2-one
CID 89080819

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate (CID 116980345) is methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate is COC(=O)CN1CC(C2CCN(C)CC2)NC1=O.
What is the InChIKey of methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is CAQJFPKORAOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14-5-3-9(4-6-14)10-7-15(12(17)13-10)8-11(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,17).
What are the key properties of methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 255.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 116980345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).