N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide

C30H42N4O3 — CID 67125776

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1
InChIInChI=1S/C30H42N4O3/c1-30(2,3)37-25-10-6-23(7-11-25)29(35)32-24-8-4-22(5-9-24)13-16-33-17-19-34(20-18-33)28-26-14-21-36-27(26)12-15-31-28/h6-7,10-12,15,22,24H,4-5,8-9,13-14,16-21H2,1-3H3,(H,32,35)
InChIKeyOAIALYFMHHTONS-UHFFFAOYSA-N
MW506.69 g/mol
LogP4.69
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 67125776) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID67125776
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1
InChIInChI=1S/C30H42N4O3/c1-30(2,3)37-25-10-6-23(7-11-25)29(35)32-24-8-4-22(5-9-24)13-16-33-17-19-34(20-18-33)28-26-14-21-36-27(26)12-15-31-28/h6-7,10-12,15,22,24H,4-5,8-9,13-14,16-21H2,1-3H3,(H,32,35)
InChIKeyOAIALYFMHHTONS-UHFFFAOYSA-N
XLogP4.69
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.69
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 67125776) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)Oc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is OAIALYFMHHTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O3/c1-30(2,3)37-25-10-6-23(7-11-25)29(35)32-24-8-4-22(5-9-24)13-16-33-17-19-34(20-18-33)28-26-14-21-36-27(26)12-15-31-28/h6-7,10-12,15,22,24H,4-5,8-9,13-14,16-21H2,1-3H3,(H,32,35).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 506.69 g/mol, XLogP of 4.69, 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-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 67125776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).