methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate

C18H25N3O3 — CID 97101306

About methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 97101306) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
• PubChem CID: 97101306
• Molecular Formula: C18H25N3O3
• Molecular Weight: 331.42 g/mol
• Exact Mass: 331.19
• IUPAC Name: methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
• SMILES: COC(=O)c1cc(CN2CCC[C@H](Cc3nccn3C)C2)oc1C
• InChI: InChI=1S/C18H25N3O3/c1-13-16(18(22)23-3)10-15(24-13)12-21-7-4-5-14(11-21)9-17-19-6-8-20(17)2/h6,8,10,14H,4-5,7,9,11-12H2,1-3H3/t14-/m1/s1
• InChIKey: TZTDCFOFSBXVRK-CQSZACIVSA-N
• XLogP: 2.56
• TPSA: 60.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.42
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate?

The IUPAC name of methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate (CID 97101306) is methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate.

What is the SMILES notation for methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate?

The canonical SMILES for methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate is COC(=O)c1cc(CN2CCC[C@H](Cc3nccn3C)C2)oc1C.

What is the InChIKey of methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate?

The InChIKey is TZTDCFOFSBXVRK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-16(18(22)23-3)10-15(24-13)12-21-7-4-5-14(11-21)9-17-19-6-8-20(17)2/h6,8,10,14H,4-5,7,9,11-12H2,1-3H3/t14-/m1/s1.

What are the key properties of methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate?

methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 97101306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).