furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone

C19H21N3O2 — CID 119109935

IUPACfuran-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(NCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H21N3O2/c23-19(18-5-2-12-24-18)22-10-7-15(8-11-22)21-13-14-3-1-4-17-16(14)6-9-20-17/h1-6,9,12,15,20-21H,7-8,10-11,13H2
InChIKeyUNEPYTAUUOYGMJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds4

About furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone

furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 119109935) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
PubChem CID119109935
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namefuran-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(NCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H21N3O2/c23-19(18-5-2-12-24-18)22-10-7-15(8-11-22)21-13-14-3-1-4-17-16(14)6-9-20-17/h1-6,9,12,15,20-21H,7-8,10-11,13H2
InChIKeyUNEPYTAUUOYGMJ-UHFFFAOYSA-N
XLogP3.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone (CID 119109935) is furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(NCc2cccc3[nH]ccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is UNEPYTAUUOYGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(18-5-2-12-24-18)22-10-7-15(8-11-22)21-13-14-3-1-4-17-16(14)6-9-20-17/h1-6,9,12,15,20-21H,7-8,10-11,13H2.
What are the key properties of furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119109935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).