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

C26H38N4O3 — CID 54769062

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C26H38N4O3/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)
InChIKeyLJEOXWDSLFLRNN-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.83
Rot. Bonds7

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

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 54769062) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID54769062
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C26H38N4O3/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)
InChIKeyLJEOXWDSLFLRNN-UHFFFAOYSA-N
XLogP3.83
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 54769062) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is LJEOXWDSLFLRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 454.62 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 54769062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).