2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

C25H36N4O2 — CID 58045664

IUPAC2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CCC1)NC1CCC(CCN2CCN(c3nccc4ccoc34)CC2)CC1
InChIInChI=1S/C25H36N4O2/c30-23(18-20-2-1-3-20)27-22-6-4-19(5-7-22)9-12-28-13-15-29(16-14-28)25-24-21(8-11-26-25)10-17-31-24/h8,10-11,17,19-20,22H,1-7,9,12-16,18H2,(H,27,30)
InChIKeyBSIRWDDABFKEPC-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.21
Rot. Bonds7

About 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (PubChem CID 58045664) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
PubChem CID58045664
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CCC1)NC1CCC(CCN2CCN(c3nccc4ccoc34)CC2)CC1
InChIInChI=1S/C25H36N4O2/c30-23(18-20-2-1-3-20)27-22-6-4-19(5-7-22)9-12-28-13-15-29(16-14-28)25-24-21(8-11-26-25)10-17-31-24/h8,10-11,17,19-20,22H,1-7,9,12-16,18H2,(H,27,30)
InChIKeyBSIRWDDABFKEPC-UHFFFAOYSA-N
XLogP4.21
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (CID 58045664) is 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is O=C(CC1CCC1)NC1CCC(CCN2CCN(c3nccc4ccoc34)CC2)CC1.
What is the InChIKey of 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is BSIRWDDABFKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c30-23(18-20-2-1-3-20)27-22-6-4-19(5-7-22)9-12-28-13-15-29(16-14-28)25-24-21(8-11-26-25)10-17-31-24/h8,10-11,17,19-20,22H,1-7,9,12-16,18H2,(H,27,30).
What are the key properties of 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 58045664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).