methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate

C19H23N3O4 — CID 71656500

IUPACmethyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate
SMILESCOC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CCNCC1
InChIInChI=1S/C19H23N3O4/c1-14(15-6-4-3-5-7-15)22-13-21-12-16(22)17(23)26-19(18(24)25-2)8-10-20-11-9-19/h3-7,12-14,20H,8-11H2,1-2H3/t14-/m1/s1
InChIKeyKWJQGODMMBTDBD-CQSZACIVSA-N
MW357.41 g/mol
LogP1.94
Rot. Bonds5

About methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate

methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate (PubChem CID 71656500) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate
PubChem CID71656500
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate
SMILESCOC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CCNCC1
InChIInChI=1S/C19H23N3O4/c1-14(15-6-4-3-5-7-15)22-13-21-12-16(22)17(23)26-19(18(24)25-2)8-10-20-11-9-19/h3-7,12-14,20H,8-11H2,1-2H3/t14-/m1/s1
InChIKeyKWJQGODMMBTDBD-CQSZACIVSA-N
XLogP1.94
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethynylcyclobutyl) 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373516
(3-methoxycarbonyloxetan-3-yl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 78140425
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 71657703
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
[1-(methoxymethyl)cyclopropyl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174880490
(1-hydroxycyclobutyl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373640
(4-methoxycarbonylcyclohexyl) 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174888037
methyl 1-[[2-oxo-2-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethoxy]methyl]cyclohexane-1-carboxylate
CID 130470370
methyl 1-methyl-4-[2-oxo-2-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethyl]piperidine-4-carboxylate
CID 118246249
[3-(oxiran-2-yl)oxetan-3-yl] 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373567
[3-(oxiran-2-yl)oxetan-3-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325742
[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 71657701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate?
The IUPAC name of methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate (CID 71656500) is methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate is COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CCNCC1.
What is the InChIKey of methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate?
The InChIKey is KWJQGODMMBTDBD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14(15-6-4-3-5-7-15)22-13-21-12-16(22)17(23)26-19(18(24)25-2)8-10-20-11-9-19/h3-7,12-14,20H,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate?
methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypiperidine-4-carboxylate is sourced from PubChem (CID 71656500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).