2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone

C27H41N3O3 — CID 58567369

IUPAC2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone
SMILESCc1cnc(N2CCN(CCC3CCC(CC(=O)C4CCOCC4)CC3)CC2)c2c1OCC2
InChIInChI=1S/C27H41N3O3/c1-20-19-28-27(24-9-17-33-26(20)24)30-13-11-29(12-14-30)10-6-21-2-4-22(5-3-21)18-25(31)23-7-15-32-16-8-23/h19,21-23H,2-18H2,1H3
InChIKeyXONGEAWCWOIABF-UHFFFAOYSA-N
MW455.64 g/mol
LogP4.03
Rot. Bonds7

About 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone

2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone (PubChem CID 58567369) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone
PubChem CID58567369
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone
SMILESCc1cnc(N2CCN(CCC3CCC(CC(=O)C4CCOCC4)CC3)CC2)c2c1OCC2
InChIInChI=1S/C27H41N3O3/c1-20-19-28-27(24-9-17-33-26(20)24)30-13-11-29(12-14-30)10-6-21-2-4-22(5-3-21)18-25(31)23-7-15-32-16-8-23/h19,21-23H,2-18H2,1H3
InChIKeyXONGEAWCWOIABF-UHFFFAOYSA-N
XLogP4.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone (CID 58567369) is 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone is Cc1cnc(N2CCN(CCC3CCC(CC(=O)C4CCOCC4)CC3)CC2)c2c1OCC2.
What is the InChIKey of 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone?
The InChIKey is XONGEAWCWOIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-20-19-28-27(24-9-17-33-26(20)24)30-13-11-29(12-14-30)10-6-21-2-4-22(5-3-21)18-25(31)23-7-15-32-16-8-23/h19,21-23H,2-18H2,1H3.
What are the key properties of 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone?
2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone has a molecular weight of 455.64 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(7-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 58567369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).