2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid

C21H32N2O4 — CID 11383314

IUPAC2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
SMILESCN(C(=O)c1ccco1)C1CCN(CCC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C21H32N2O4/c1-22(20(26)18-6-5-15-27-18)17-7-12-23(13-8-17)14-11-21(16-19(24)25)9-3-2-4-10-21/h5-6,15,17H,2-4,7-14,16H2,1H3,(H,24,25)
InChIKeyWZRIOTFMJDZLBS-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.63
Rot. Bonds7

About 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid

2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid (PubChem CID 11383314) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
PubChem CID11383314
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
SMILESCN(C(=O)c1ccco1)C1CCN(CCC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C21H32N2O4/c1-22(20(26)18-6-5-15-27-18)17-7-12-23(13-8-17)14-11-21(16-19(24)25)9-3-2-4-10-21/h5-6,15,17H,2-4,7-14,16H2,1H3,(H,24,25)
InChIKeyWZRIOTFMJDZLBS-UHFFFAOYSA-N
XLogP3.63
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

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-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69146660
4-[[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]amino]butanoic acid
CID 87750203
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
N-[1-[2-[1-(3-hydroxyiminopropyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 174441634
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-(2-aminoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
CID 69146217
ethyl 2-[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]iminoacetate
CID 69144721
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 59714880
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-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid (CID 11383314) is 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid is CN(C(=O)c1ccco1)C1CCN(CCC2(CC(=O)O)CCCCC2)CC1.
What is the InChIKey of 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid?
The InChIKey is WZRIOTFMJDZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-22(20(26)18-6-5-15-27-18)17-7-12-23(13-8-17)14-11-21(16-19(24)25)9-3-2-4-10-21/h5-6,15,17H,2-4,7-14,16H2,1H3,(H,24,25).
What are the key properties of 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid?
2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid has a molecular weight of 376.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 11383314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).