[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate

C26H34N4O5 — CID 69032117

IUPAC[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(OCc3ccoc3)cccc2[nH]1
InChIInChI=1S/C26H34N4O5/c31-21-6-11-30(12-7-21)14-13-29-9-4-20(5-10-29)27-26(32)35-25-16-22-23(28-25)2-1-3-24(22)34-18-19-8-15-33-17-19/h1-3,8,15-17,20-21,28,31H,4-7,9-14,18H2,(H,27,32)
InChIKeyNZKBOVBWITUKFZ-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.35
Rot. Bonds8

About [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate

[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 69032117) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID69032117
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(OCc3ccoc3)cccc2[nH]1
InChIInChI=1S/C26H34N4O5/c31-21-6-11-30(12-7-21)14-13-29-9-4-20(5-10-29)27-26(32)35-25-16-22-23(28-25)2-1-3-24(22)34-18-19-8-15-33-17-19/h1-3,8,15-17,20-21,28,31H,4-7,9-14,18H2,(H,27,32)
InChIKeyNZKBOVBWITUKFZ-UHFFFAOYSA-N
XLogP3.35
TPSA103.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 69032117) is [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate is O=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(OCc3ccoc3)cccc2[nH]1.
What is the InChIKey of [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is NZKBOVBWITUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c31-21-6-11-30(12-7-21)14-13-29-9-4-20(5-10-29)27-26(32)35-25-16-22-23(28-25)2-1-3-24(22)34-18-19-8-15-33-17-19/h1-3,8,15-17,20-21,28,31H,4-7,9-14,18H2,(H,27,32).
What are the key properties of [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate?
[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 482.58 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 69032117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).