1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C26H25N5O2 — CID 50835117

IUPAC1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C26H25N5O2/c32-26(27-12-9-18-15-28-21-7-3-1-5-19(18)21)17-10-13-31(14-11-17)25-24-23(29-16-30-25)20-6-2-4-8-22(20)33-24/h1-8,15-17,28H,9-14H2,(H,27,32)
InChIKeyKLDPBKUPBSLCSQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.43
Rot. Bonds5

About 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50835117) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID50835117
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C26H25N5O2/c32-26(27-12-9-18-15-28-21-7-3-1-5-19(18)21)17-10-13-31(14-11-17)25-24-23(29-16-30-25)20-6-2-4-8-22(20)33-24/h1-8,15-17,28H,9-14H2,(H,27,32)
InChIKeyKLDPBKUPBSLCSQ-UHFFFAOYSA-N
XLogP4.43
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 50835117) is 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KLDPBKUPBSLCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26(27-12-9-18-15-28-21-7-3-1-5-19(18)21)17-10-13-31(14-11-17)25-24-23(29-16-30-25)20-6-2-4-8-22(20)33-24/h1-8,15-17,28H,9-14H2,(H,27,32).
What are the key properties of 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).