N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

C26H44N4O2 — CID 69146217

IUPACN-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CCN)CCCCC3)CC2)NC1
InChIInChI=1S/C26H44N4O2/c1-21-7-8-24(28-20-21)30(25(31)23-6-5-19-32-23)22-9-16-29(17-10-22)18-14-26(13-15-27)11-3-2-4-12-26/h5-6,19,21-22,24,28H,2-4,7-18,20,27H2,1H3
InChIKeyAGLXIXYAHLVMLT-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.22
Rot. Bonds8

About N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (PubChem CID 69146217) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
PubChem CID69146217
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC NameN-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CCN)CCCCC3)CC2)NC1
InChIInChI=1S/C26H44N4O2/c1-21-7-8-24(28-20-21)30(25(31)23-6-5-19-32-23)22-9-16-29(17-10-22)18-14-26(13-15-27)11-3-2-4-12-26/h5-6,19,21-22,24,28H,2-4,7-18,20,27H2,1H3
InChIKeyAGLXIXYAHLVMLT-UHFFFAOYSA-N
XLogP4.22
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69146660
2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
CID 11383314
N-[1-[1-[2-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69328033
N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 59714889
N-[1-[2-[1-[(3Z)-3-amino-3-hydroxyiminopropyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 10299499
N-[1-[2-[1-(3-hydroxyiminopropyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 174441634
triethyl 3-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]propane-1,1,1-tricarboxylate
CID 10189806
N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
CID 10118965
ethyl 2-[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]iminoacetate
CID 69144721
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 59714880
N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (CID 69146217) is N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is CC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CCN)CCCCC3)CC2)NC1.
What is the InChIKey of N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The InChIKey is AGLXIXYAHLVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O2/c1-21-7-8-24(28-20-21)30(25(31)23-6-5-19-32-23)22-9-16-29(17-10-22)18-14-26(13-15-27)11-3-2-4-12-26/h5-6,19,21-22,24,28H,2-4,7-18,20,27H2,1H3.
What are the key properties of N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide has a molecular weight of 444.66 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 69146217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).