benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate

C21H26N4O4 — CID 122260418

IUPACbenzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(OC2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C21H26N4O4/c1-15-11-19(24-16(2)23-15)29-18-9-6-10-25(13-18)20(26)12-22-21(27)28-14-17-7-4-3-5-8-17/h3-5,7-8,11,18H,6,9-10,12-14H2,1-2H3,(H,22,27)
InChIKeyZYDIPADPMTZUEE-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.39
Rot. Bonds6

About benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 122260418) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID122260418
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Namebenzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(OC2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C21H26N4O4/c1-15-11-19(24-16(2)23-15)29-18-9-6-10-25(13-18)20(26)12-22-21(27)28-14-17-7-4-3-5-8-17/h3-5,7-8,11,18H,6,9-10,12-14H2,1-2H3,(H,22,27)
InChIKeyZYDIPADPMTZUEE-UHFFFAOYSA-N
XLogP2.39
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
benzyl N-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122258979
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate (CID 122260418) is benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate is Cc1cc(OC2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)nc(C)n1.
What is the InChIKey of benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is ZYDIPADPMTZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15-11-19(24-16(2)23-15)29-18-9-6-10-25(13-18)20(26)12-22-21(27)28-14-17-7-4-3-5-8-17/h3-5,7-8,11,18H,6,9-10,12-14H2,1-2H3,(H,22,27).
What are the key properties of benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 122260418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).