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

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

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Related Compounds

(3R,4R)-N-Cyclohexyl-4-[[5-(2-furanyl)-1,2-dihydro-3-methyl-2-oxo-1,7-naphthyridin-8-yl]amino]-1-methyl-3-piperidinecarboxamide
CID 146681130
4-(Piperazin-1-yl)furo[3,2-c]pyridine
CID 2794808
6-(furan-2-yl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719608
3,5-Morpholinedione, 4-(4-(4-furo(3,2-c)pyridin-4-yl-1-piperazinyl)butyl)-
CID 184633
(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088026
2-phenyl-4-[[(3S)-piperidin-3-yl]amino]furo[3,2-c]pyridine-7-carboxamide
CID 69013144
1-[4-(4-Furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
CID 45259311
1-(4-Fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
CID 45259315
3-[4-(4-Furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 45259320
4-(Piperazin-1-yl)furo[3,2-c]pyridine hydrochloride
CID 45259328
4,4-Dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
CID 45259329
3-[4-[4-(2-Methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 45263925

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).