N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide

C28H40N2O4 — CID 59714880

IUPACN-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C(CO)CO)CCCCC3)CC2)cc1
InChIInChI=1S/C28H40N2O4/c1-22-7-9-24(10-8-22)30(27(33)26-6-5-19-34-26)25-11-16-29(17-12-25)18-15-28(23(20-31)21-32)13-3-2-4-14-28/h5-10,19,23,25,31-32H,2-4,11-18,20-21H2,1H3
InChIKeyBORUSHXFAVOVGL-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.64
Rot. Bonds9

About N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide

N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 59714880) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID59714880
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC NameN-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C(CO)CO)CCCCC3)CC2)cc1
InChIInChI=1S/C28H40N2O4/c1-22-7-9-24(10-8-22)30(27(33)26-6-5-19-34-26)25-11-16-29(17-12-25)18-15-28(23(20-31)21-32)13-3-2-4-14-28/h5-10,19,23,25,31-32H,2-4,11-18,20-21H2,1H3
InChIKeyBORUSHXFAVOVGL-UHFFFAOYSA-N
XLogP4.64
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(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-(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-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
2-[2-[2-[bis(carboxymethyl)amino]-2-oxoethyl]-2-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]-2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
CID 87714283
[2-[3-[4-[N-(furan-2-carbonyl)-4-methylanilino]piperidin-1-yl]propyl]phenyl]carbamic acid
CID 69146198
N-[1-[3-[2-(cyclohexylcarbamothioylamino)phenyl]propyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 59715053
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-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
CID 10120302
N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide
CID 10224150
2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
CID 11383314

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (CID 59714880) is N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C(CO)CO)CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is BORUSHXFAVOVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-22-7-9-24(10-8-22)30(27(33)26-6-5-19-34-26)25-11-16-29(17-12-25)18-15-28(23(20-31)21-32)13-3-2-4-14-28/h5-10,19,23,25,31-32H,2-4,11-18,20-21H2,1H3.
What are the key properties of N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 59714880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).