(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C19H21FN4O2 — CID 154795263

About (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 154795263) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 154795263
• Molecular Formula: C19H21FN4O2
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.16
• IUPAC Name: (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
• SMILES: Cn1ccnc1C(O)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1
• InChI: InChI=1S/C19H21FN4O2/c1-23-10-7-21-18(23)17(25)12-5-8-24(9-6-12)19(26)16-11-13-14(20)3-2-4-15(13)22-16/h2-4,7,10-12,17,22,25H,5-6,8-9H2,1H3
• InChIKey: GDMHPQVCJSUYDR-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 74.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.40
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 154795263) is (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cn1ccnc1C(O)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1.

What is the InChIKey of (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is GDMHPQVCJSUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23-10-7-21-18(23)17(25)12-5-8-24(9-6-12)19(26)16-11-13-14(20)3-2-4-15(13)22-16/h2-4,7,10-12,17,22,25H,5-6,8-9H2,1H3.

What are the key properties of (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?

(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 356.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).