N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide

C27H40N2O2 — CID 70673787

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H40N2O2/c1-27(2,3)18-26(30)28-22-10-8-20(9-11-22)12-15-29-16-13-21(14-17-29)24-19-31-25-7-5-4-6-23(24)25/h4-7,19-22H,8-18H2,1-3H3,(H,28,30)
InChIKeyISELLYVTONRQOI-UHFFFAOYSA-N
MW424.63 g/mol
LogP6.11
Rot. Bonds6

About N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide (PubChem CID 70673787) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide
PubChem CID70673787
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H40N2O2/c1-27(2,3)18-26(30)28-22-10-8-20(9-11-22)12-15-29-16-13-21(14-17-29)24-19-31-25-7-5-4-6-23(24)25/h4-7,19-22H,8-18H2,1-3H3,(H,28,30)
InChIKeyISELLYVTONRQOI-UHFFFAOYSA-N
XLogP6.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

(3S,4R)-N-(1-benzofuran-5-ylmethyl)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-amine
CID 23647861
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-isobutyramide
CID 10022490
N-[2-(2-Benzyl-5-ethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 10969292
N-[2-(2-Benzyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11098363
[(1R)-1-acetamido-2-(1-benzofuran-3-yl)ethyl]boronic acid
CID 71616890
[(1R)-2-(7-methyl-1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861702
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861710
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
CID 70674942
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 70675174
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 665041
4-(2-Ethyl-1-benzofuran-3-yl)-1-(2-phenylethyl)piperidine
CID 12741879
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide
CID 44411753

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide (CID 70673787) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide?
The InChIKey is ISELLYVTONRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-27(2,3)18-26(30)28-22-10-8-20(9-11-22)12-15-29-16-13-21(14-17-29)24-19-31-25-7-5-4-6-23(24)25/h4-7,19-22H,8-18H2,1-3H3,(H,28,30).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide has a molecular weight of 424.63 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70673787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).