[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate

C18H22N4O4 — CID 11772735

IUPAC[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(O)(n2cnc(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H22N4O4/c1-19-16(23)12-26-17(24)21-9-7-18(25,8-10-21)22-11-15(20-13-22)14-5-3-2-4-6-14/h2-6,11,13,25H,7-10,12H2,1H3,(H,19,23)
InChIKeyIEJYFQIOTLJYRP-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.17
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate

[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 11772735) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate
PubChem CID11772735
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(O)(n2cnc(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H22N4O4/c1-19-16(23)12-26-17(24)21-9-7-18(25,8-10-21)22-11-15(20-13-22)14-5-3-2-4-6-14/h2-6,11,13,25H,7-10,12H2,1H3,(H,19,23)
InChIKeyIEJYFQIOTLJYRP-UHFFFAOYSA-N
XLogP1.17
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate (CID 11772735) is [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate is CNC(=O)COC(=O)N1CCC(O)(n2cnc(-c3ccccc3)c2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is IEJYFQIOTLJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-19-16(23)12-26-17(24)21-9-7-18(25,8-10-21)22-11-15(20-13-22)14-5-3-2-4-6-14/h2-6,11,13,25H,7-10,12H2,1H3,(H,19,23).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11772735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).