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

C25H38N4O4 — CID 54769951

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(1,4-dioxan-2-yl)acetamide
SMILESO=C(CC1COCCO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H38N4O4/c30-24(17-21-18-31-15-16-32-21)27-20-3-1-19(2-4-20)6-9-28-10-12-29(13-11-28)25-22-7-14-33-23(22)5-8-26-25/h5,8,19-21H,1-4,6-7,9-18H2,(H,27,30)
InChIKeyYGCYKAKZEZYUMC-UHFFFAOYSA-N
MW458.60 g/mol
LogP2.01
Rot. Bonds7

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(1,4-dioxan-2-yl)acetamide (PubChem CID 54769951) 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-(1,4-dioxan-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-(1,4-dioxan-2-yl)acetamide
PubChem CID54769951
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-(1,4-dioxan-2-yl)acetamide
SMILESO=C(CC1COCCO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H38N4O4/c30-24(17-21-18-31-15-16-32-21)27-20-3-1-19(2-4-20)6-9-28-10-12-29(13-11-28)25-22-7-14-33-23(22)5-8-26-25/h5,8,19-21H,1-4,6-7,9-18H2,(H,27,30)
InChIKeyYGCYKAKZEZYUMC-UHFFFAOYSA-N
XLogP2.01
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(1,4-dioxan-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-(1,4-dioxan-2-yl)acetamide (CID 54769951) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(1,4-dioxan-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-(1,4-dioxan-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-(1,4-dioxan-2-yl)acetamide is O=C(CC1COCCO1)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-(1,4-dioxan-2-yl)acetamide?
The InChIKey is YGCYKAKZEZYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c30-24(17-21-18-31-15-16-32-21)27-20-3-1-19(2-4-20)6-9-28-10-12-29(13-11-28)25-22-7-14-33-23(22)5-8-26-25/h5,8,19-21H,1-4,6-7,9-18H2,(H,27,30).
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-(1,4-dioxan-2-yl)acetamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(1,4-dioxan-2-yl)acetamide has a molecular weight of 458.60 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 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-(1,4-dioxan-2-yl)acetamide is sourced from PubChem (CID 54769951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).