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

C22H32N4O3 — CID 54769058

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide
SMILESO=C(CCO)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C22H32N4O3/c27-15-7-21(28)24-18-3-1-17(2-4-18)6-10-25-11-13-26(14-12-25)22-19-8-16-29-20(19)5-9-23-22/h5,8-9,16-18,27H,1-4,6-7,10-15H2,(H,24,28)
InChIKeyUOQPMMUMTSDTOB-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.40
Rot. Bonds7

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

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide (PubChem CID 54769058) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide
PubChem CID54769058
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide
SMILESO=C(CCO)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C22H32N4O3/c27-15-7-21(28)24-18-3-1-17(2-4-18)6-10-25-11-13-26(14-12-25)22-19-8-16-29-20(19)5-9-23-22/h5,8-9,16-18,27H,1-4,6-7,10-15H2,(H,24,28)
InChIKeyUOQPMMUMTSDTOB-UHFFFAOYSA-N
XLogP2.40
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
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-hydroxypropanamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide (CID 54769058) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide is O=C(CCO)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-hydroxypropanamide?
The InChIKey is UOQPMMUMTSDTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c27-15-7-21(28)24-18-3-1-17(2-4-18)6-10-25-11-13-26(14-12-25)22-19-8-16-29-20(19)5-9-23-22/h5,8-9,16-18,27H,1-4,6-7,10-15H2,(H,24,28).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide has a molecular weight of 400.52 g/mol, XLogP of 2.40, 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]-3-hydroxypropanamide is sourced from PubChem (CID 54769058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).