N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

C32H36N4O5 — CID 10437710

IUPACN-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCC1(C)CN(c2ccccc2N2CCC(NC(=O)C3(NC(=O)c4cc5ccccc5o4)CCCCC3)C(=O)C2)C1=O
InChIInChI=1S/C32H36N4O5/c1-31(2)20-36(30(31)40)24-12-6-5-11-23(24)35-17-14-22(25(37)19-35)33-29(39)32(15-8-3-9-16-32)34-28(38)27-18-21-10-4-7-13-26(21)41-27/h4-7,10-13,18,22H,3,8-9,14-17,19-20H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyZGKTUJVWOCVAMN-UHFFFAOYSA-N
MW556.66 g/mol
LogP4.20
Rot. Bonds6

About N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 10437710) has the molecular formula C32H36N4O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID10437710
Molecular FormulaC32H36N4O5
Molecular Weight556.66 g/mol
Exact Mass556.27
IUPAC NameN-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCC1(C)CN(c2ccccc2N2CCC(NC(=O)C3(NC(=O)c4cc5ccccc5o4)CCCCC3)C(=O)C2)C1=O
InChIInChI=1S/C32H36N4O5/c1-31(2)20-36(30(31)40)24-12-6-5-11-23(24)35-17-14-22(25(37)19-35)33-29(39)32(15-8-3-9-16-32)34-28(38)27-18-21-10-4-7-13-26(21)41-27/h4-7,10-13,18,22H,3,8-9,14-17,19-20H2,1-2H3,(H,33,39)(H,34,38)
InChIKeyZGKTUJVWOCVAMN-UHFFFAOYSA-N
XLogP4.20
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.66
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[1-[[1-(5-fluoro-2-pyrrol-1-ylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 69312939
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-benzofuran-2-carboxamide
CID 71977522
N-[1-[[1-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]furan-2-carboxamide
CID 69313294
1-[3-(2-methylpropoxy)propanoylamino]-N-[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]cyclohexane-1-carboxamide
CID 69311778
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide
CID 91411713
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-benzofuran-2-carboxamide
CID 114304186
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
5-methoxy-N-[1-[4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 90730315
3-methyl-N-[1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)carbamoyl]cyclohexyl]furo[3,2-b]pyridine-2-carboxamide
CID 21036426
N-[(2S)-4-methyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 69192674
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide (CID 10437710) is N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide is CC1(C)CN(c2ccccc2N2CCC(NC(=O)C3(NC(=O)c4cc5ccccc5o4)CCCCC3)C(=O)C2)C1=O.
What is the InChIKey of N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZGKTUJVWOCVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O5/c1-31(2)20-36(30(31)40)24-12-6-5-11-23(24)35-17-14-22(25(37)19-35)33-29(39)32(15-8-3-9-16-32)34-28(38)27-18-21-10-4-7-13-26(21)41-27/h4-7,10-13,18,22H,3,8-9,14-17,19-20H2,1-2H3,(H,33,39)(H,34,38).
What are the key properties of N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 556.66 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10437710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).