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

C23H34N4O3 — CID 54769057

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C23H34N4O3/c1-29-16-9-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-8-17-30-21(20)6-10-24-23/h6,8,10,17-19H,2-5,7,9,11-16H2,1H3,(H,25,28)
InChIKeyJSEGPLRTWBZZOJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.05
Rot. Bonds8

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

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide (PubChem CID 54769057) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide
PubChem CID54769057
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C23H34N4O3/c1-29-16-9-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-8-17-30-21(20)6-10-24-23/h6,8,10,17-19H,2-5,7,9,11-16H2,1H3,(H,25,28)
InChIKeyJSEGPLRTWBZZOJ-UHFFFAOYSA-N
XLogP3.05
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.05
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]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide (CID 54769057) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide is COCCC(=O)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]-3-methoxypropanamide?
The InChIKey is JSEGPLRTWBZZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-29-16-9-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-8-17-30-21(20)6-10-24-23/h6,8,10,17-19H,2-5,7,9,11-16H2,1H3,(H,25,28).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide has a molecular weight of 414.55 g/mol, XLogP of 3.05, 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]-3-methoxypropanamide is sourced from PubChem (CID 54769057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).