N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide

C27H40N4O3 — CID 54768826

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CC1CCC(O)CC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C27H40N4O3/c32-23-7-3-21(4-8-23)19-26(33)29-22-5-1-20(2-6-22)10-13-30-14-16-31(17-15-30)27-24-11-18-34-25(24)9-12-28-27/h9,11-12,18,20-23,32H,1-8,10,13-17,19H2,(H,29,33)
InChIKeyJNSGCKSGQOFGBY-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.96
Rot. Bonds7

About N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide (PubChem CID 54768826) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide
PubChem CID54768826
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CC1CCC(O)CC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C27H40N4O3/c32-23-7-3-21(4-8-23)19-26(33)29-22-5-1-20(2-6-22)10-13-30-14-16-31(17-15-30)27-24-11-18-34-25(24)9-12-28-27/h9,11-12,18,20-23,32H,1-8,10,13-17,19H2,(H,29,33)
InChIKeyJNSGCKSGQOFGBY-UHFFFAOYSA-N
XLogP3.96
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)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-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide (CID 54768826) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide is O=C(CC1CCC(O)CC1)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide?
The InChIKey is JNSGCKSGQOFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c32-23-7-3-21(4-8-23)19-26(33)29-22-5-1-20(2-6-22)10-13-30-14-16-31(17-15-30)27-24-11-18-34-25(24)9-12-28-27/h9,11-12,18,20-23,32H,1-8,10,13-17,19H2,(H,29,33).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide has a molecular weight of 468.64 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 54768826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).