N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide

C25H38N4O4 — CID 67125841

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1C[C@@H](O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H38N4O4/c30-20-15-21(33-17-20)16-24(31)27-19-3-1-18(2-4-19)6-9-28-10-12-29(13-11-28)25-22-7-14-32-23(22)5-8-26-25/h5,8,18-21,30H,1-4,6-7,9-17H2,(H,27,31)/t18?,19?,20-,21+/m1/s1
InChIKeyXIVALFSMOKTRNY-VFUGHAIPSA-N
MW458.60 g/mol
LogP1.74
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide (PubChem CID 67125841) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide
PubChem CID67125841
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1C[C@@H](O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H38N4O4/c30-20-15-21(33-17-20)16-24(31)27-19-3-1-18(2-4-19)6-9-28-10-12-29(13-11-28)25-22-7-14-32-23(22)5-8-26-25/h5,8,18-21,30H,1-4,6-7,9-17H2,(H,27,31)/t18?,19?,20-,21+/m1/s1
InChIKeyXIVALFSMOKTRNY-VFUGHAIPSA-N
XLogP1.74
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide 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]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide (CID 67125841) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide is O=C(C[C@@H]1C[C@@H](O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)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]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide?
The InChIKey is XIVALFSMOKTRNY-VFUGHAIPSA-N. The full InChI is InChI=1S/C25H38N4O4/c30-20-15-21(33-17-20)16-24(31)27-19-3-1-18(2-4-19)6-9-28-10-12-29(13-11-28)25-22-7-14-32-23(22)5-8-26-25/h5,8,18-21,30H,1-4,6-7,9-17H2,(H,27,31)/t18?,19?,20-,21+/m1/s1.
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide has a molecular weight of 458.60 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide is sourced from PubChem (CID 67125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).