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

C28H42N4O3 — CID 54769061

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)CC1
InChIInChI=1S/C28H42N4O3/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33)
InChIKeyIXDPGYMHLOZKPR-UHFFFAOYSA-N
MW482.67 g/mol
LogP4.61
Rot. Bonds8

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

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide (PubChem CID 54769061) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide
PubChem CID54769061
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)CC1
InChIInChI=1S/C28H42N4O3/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33)
InChIKeyIXDPGYMHLOZKPR-UHFFFAOYSA-N
XLogP4.61
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.61
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-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide (CID 54769061) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide is COC1CCC(CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide?
The InChIKey is IXDPGYMHLOZKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide has a molecular weight of 482.67 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 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-methoxycyclohexyl)acetamide is sourced from PubChem (CID 54769061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).