N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide

C27H37N3O3 — CID 59714889

IUPACN-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(N)=O)CCCCC3)CC2)cc1
InChIInChI=1S/C27H37N3O3/c1-21-7-9-22(10-8-21)30(26(32)24-6-5-19-33-24)23-11-16-29(17-12-23)18-15-27(20-25(28)31)13-3-2-4-14-27/h5-10,19,23H,2-4,11-18,20H2,1H3,(H2,28,31)
InChIKeyCGHABNJTDOWKLQ-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.92
Rot. Bonds8

About N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide

N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 59714889) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID59714889
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(N)=O)CCCCC3)CC2)cc1
InChIInChI=1S/C27H37N3O3/c1-21-7-9-22(10-8-21)30(26(32)24-6-5-19-33-24)23-11-16-29(17-12-23)18-15-27(20-25(28)31)13-3-2-4-14-27/h5-10,19,23H,2-4,11-18,20H2,1H3,(H2,28,31)
InChIKeyCGHABNJTDOWKLQ-UHFFFAOYSA-N
XLogP4.92
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[1-(3-hydroxyiminopropyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 174441634
N-[1-[2-[1-(1,3-dihydroxypropan-2-yl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 59714880
2-[1-[2-[4-[furan-2-carbonyl(methyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetic acid
CID 11383314
ethyl 2-[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]iminoacetate
CID 69144721
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
4-[[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]amino]butanoic acid
CID 87750203
[3-acetyloxy-2-(acetyloxymethyl)-2-[[2-[[2-[[1,3-diacetyloxy-2-(acetyloxymethyl)propan-2-yl]amino]-2-oxoethyl]-[2-[1-[2-[4-[furan-2-carbonyl-(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]acetyl]amino]acetyl]amino]propyl] acetate
CID 59714940
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
[2-[3-[4-[N-(furan-2-carbonyl)-4-methylanilino]piperidin-1-yl]propyl]phenyl]carbamic acid
CID 69146198
N-(4-methylcyclohexa-1,3-dien-1-yl)-N-[1-[2-[1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)ethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
CID 142964780

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (CID 59714889) is N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(N)=O)CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is CGHABNJTDOWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-21-7-9-22(10-8-21)30(26(32)24-6-5-19-33-24)23-11-16-29(17-12-23)18-15-27(20-25(28)31)13-3-2-4-14-27/h5-10,19,23H,2-4,11-18,20H2,1H3,(H2,28,31).
What are the key properties of N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide?
N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-(2-amino-2-oxoethyl)cyclohexyl]ethyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 59714889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).