[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate

C19H23N3O3 — CID 42628384

IUPAC[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
SMILESCC1CCN(C(=O)c2nc[nH]c2C(=O)O[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-8-10-22(11-9-13)18(23)16-17(21-12-20-16)19(24)25-14(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyHGWGUGDTPQGDQF-CQSZACIVSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds4

About [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate

[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate (PubChem CID 42628384) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
PubChem CID42628384
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
SMILESCC1CCN(C(=O)c2nc[nH]c2C(=O)O[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-8-10-22(11-9-13)18(23)16-17(21-12-20-16)19(24)25-14(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyHGWGUGDTPQGDQF-CQSZACIVSA-N
XLogP3.20
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate (CID 42628384) is [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate is CC1CCN(C(=O)c2nc[nH]c2C(=O)O[C@H](C)c2ccccc2)CC1.
What is the InChIKey of [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The InChIKey is HGWGUGDTPQGDQF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-8-10-22(11-9-13)18(23)16-17(21-12-20-16)19(24)25-14(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 42628384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).