indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone

C19H24N2O3 — CID 75477133

IUPACindolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccn2c1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C19H24N2O3/c22-19(16-11-17-3-1-2-7-21(17)12-16)20-8-4-18(5-9-20)24-14-15-6-10-23-13-15/h1-3,7,11-12,15,18H,4-6,8-10,13-14H2
InChIKeyRBKBDWQLQGMXPL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.60
Rot. Bonds4

About indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone

indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 75477133) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameindolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID75477133
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameindolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccn2c1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C19H24N2O3/c22-19(16-11-17-3-1-2-7-21(17)12-16)20-8-4-18(5-9-20)24-14-15-6-10-23-13-15/h1-3,7,11-12,15,18H,4-6,8-10,13-14H2
InChIKeyRBKBDWQLQGMXPL-UHFFFAOYSA-N
XLogP2.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone (CID 75477133) is indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cc2ccccn2c1)N1CCC(OCC2CCOC2)CC1.
What is the InChIKey of indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is RBKBDWQLQGMXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-19(16-11-17-3-1-2-7-21(17)12-16)20-8-4-18(5-9-20)24-14-15-6-10-23-13-15/h1-3,7,11-12,15,18H,4-6,8-10,13-14H2.
What are the key properties of indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone?
indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 75477133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).