6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

C27H32N2O2 — CID 164889369

IUPAC6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(C4CCCCC4)cc3)cc2o1
InChIInChI=1S/C27H32N2O2/c30-27(29-18-19-12-14-28-15-13-19)26-17-24-11-10-23(16-25(24)31-26)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h6-11,16-17,19-20,28H,1-5,12-15,18H2,(H,29,30)
InChIKeyNDTGSLZZMDNCDZ-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.88
Rot. Bonds5

About 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 164889369) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID164889369
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(C4CCCCC4)cc3)cc2o1
InChIInChI=1S/C27H32N2O2/c30-27(29-18-19-12-14-28-15-13-19)26-17-24-11-10-23(16-25(24)31-26)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h6-11,16-17,19-20,28H,1-5,12-15,18H2,(H,29,30)
InChIKeyNDTGSLZZMDNCDZ-UHFFFAOYSA-N
XLogP5.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889337
6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 172553851
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823
3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide
CID 58449390
N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
CID 164625128
5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
CID 164625682
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
N-(piperidin-4-ylmethyl)-6-[4-(pyrrolidine-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 164889315
5-(4-tert-butylphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 164889338
3-piperidin-4-ylpropyl 6-methoxy-1-benzofuran-2-carboxylate
CID 171781666
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 158379665

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 164889369) is 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(C4CCCCC4)cc3)cc2o1.
What is the InChIKey of 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is NDTGSLZZMDNCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-27(29-18-19-12-14-28-15-13-19)26-17-24-11-10-23(16-25(24)31-26)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h6-11,16-17,19-20,28H,1-5,12-15,18H2,(H,29,30).
What are the key properties of 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 164889369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).