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

C22H32N4O3 — CID 54769060

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C22H32N4O3/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)
InChIKeyWVCHGRAYLHEGAY-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.66
Rot. Bonds7

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

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide (PubChem CID 54769060) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide
PubChem CID54769060
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C22H32N4O3/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)
InChIKeyWVCHGRAYLHEGAY-UHFFFAOYSA-N
XLogP2.66
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.66
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-methoxyacetamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide (CID 54769060) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide is COCC(=O)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-methoxyacetamide?
The InChIKey is WVCHGRAYLHEGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide has a molecular weight of 400.52 g/mol, XLogP of 2.66, 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-methoxyacetamide is sourced from PubChem (CID 54769060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).