N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide

C27H40N4O3 — CID 67125771

IUPACN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)CC4CCOCC4)CC3)CC2)n1
InChIInChI=1S/C27H40N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h9,17-18,21-23H,2-8,10-16,19H2,1H3,(H,29,32)
InChIKeyKGHICJQDLKRYCB-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.14
Rot. Bonds7

About N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide

N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 67125771) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID67125771
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC NameN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)CC4CCOCC4)CC3)CC2)n1
InChIInChI=1S/C27H40N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h9,17-18,21-23H,2-8,10-16,19H2,1H3,(H,29,32)
InChIKeyKGHICJQDLKRYCB-UHFFFAOYSA-N
XLogP4.14
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.14
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-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 67125771) is N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is Cc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)CC4CCOCC4)CC3)CC2)n1.
What is the InChIKey of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is KGHICJQDLKRYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h9,17-18,21-23H,2-8,10-16,19H2,1H3,(H,29,32).
What are the key properties of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 468.64 g/mol, XLogP of 4.14, 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-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 67125771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).