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

C18H18N2O2 — CID 113087824

IUPACfuran-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H18N2O2/c21-18(17-6-3-11-22-17)20-9-7-13(8-10-20)16-12-14-4-1-2-5-15(14)19-16/h1-6,11-13,19H,7-10H2
InChIKeyDHPLNVILJPRTDE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.78
Rot. Bonds2

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

furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113087824) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113087824
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namefuran-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H18N2O2/c21-18(17-6-3-11-22-17)20-9-7-13(8-10-20)16-12-14-4-1-2-5-15(14)19-16/h1-6,11-13,19H,7-10H2
InChIKeyDHPLNVILJPRTDE-UHFFFAOYSA-N
XLogP3.78
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (CID 113087824) is furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DHPLNVILJPRTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(17-6-3-11-22-17)20-9-7-13(8-10-20)16-12-14-4-1-2-5-15(14)19-16/h1-6,11-13,19H,7-10H2.
What are the key properties of furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113087824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).