(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate

C18H23N3O2 — CID 3064162

IUPAC(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate
SMILESCC(c1ccccc1)n1cncc1C(=O)OC1CCCN(C)C1
InChIInChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-13-19-11-17(21)18(22)23-16-9-6-10-20(2)12-16/h3-5,7-8,11,13-14,16H,6,9-10,12H2,1-2H3
InChIKeyMICDDWULTVVSES-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds4

About (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate

(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate (PubChem CID 3064162) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate
PubChem CID3064162
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate
SMILESCC(c1ccccc1)n1cncc1C(=O)OC1CCCN(C)C1
InChIInChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-13-19-11-17(21)18(22)23-16-9-6-10-20(2)12-16/h3-5,7-8,11,13-14,16H,6,9-10,12H2,1-2H3
InChIKeyMICDDWULTVVSES-UHFFFAOYSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate?
The IUPAC name of (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate (CID 3064162) is (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate?
The canonical SMILES for (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate is CC(c1ccccc1)n1cncc1C(=O)OC1CCCN(C)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate?
The InChIKey is MICDDWULTVVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-13-19-11-17(21)18(22)23-16-9-6-10-20(2)12-16/h3-5,7-8,11,13-14,16H,6,9-10,12H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate?
(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 3064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).