N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide

C28H32N2O3 — CID 11655206

IUPACN,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C28H32N2O3/c1-3-30(4-2)28(31)22-9-10-24-26(17-22)33-25-8-6-5-7-23(25)27(24)21-11-14-29(15-12-21)18-20-13-16-32-19-20/h5-10,13,16-17,19,21,27H,3-4,11-12,14-15,18H2,1-2H3
InChIKeyQRAXHWOROHLJLS-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.91
Rot. Bonds6

About N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide

N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide (PubChem CID 11655206) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide
PubChem CID11655206
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C28H32N2O3/c1-3-30(4-2)28(31)22-9-10-24-26(17-22)33-25-8-6-5-7-23(25)27(24)21-11-14-29(15-12-21)18-20-13-16-32-19-20/h5-10,13,16-17,19,21,27H,3-4,11-12,14-15,18H2,1-2H3
InChIKeyQRAXHWOROHLJLS-UHFFFAOYSA-N
XLogP5.91
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide?
The IUPAC name of N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide (CID 11655206) is N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide?
The canonical SMILES for N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide?
The InChIKey is QRAXHWOROHLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-30(4-2)28(31)22-9-10-24-26(17-22)33-25-8-6-5-7-23(25)27(24)21-11-14-29(15-12-21)18-20-13-16-32-19-20/h5-10,13,16-17,19,21,27H,3-4,11-12,14-15,18H2,1-2H3.
What are the key properties of N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide?
N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide is sourced from PubChem (CID 11655206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).