N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C31H32N2O6 — CID 171683445

IUPACN-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5occc5c4)CC3)cc2)cc(OC)c1OC
InChIInChI=1S/C31H32N2O6/c1-36-27-16-20(17-28(37-2)30(27)38-3)18-29(34)32-25-7-4-21(5-8-25)22-10-13-33(14-11-22)31(35)24-6-9-26-23(19-24)12-15-39-26/h4-9,12,15-17,19,22H,10-11,13-14,18H2,1-3H3,(H,32,34)
InChIKeyJESHYPSCJVQDSC-UHFFFAOYSA-N
MW528.61 g/mol
LogP5.66
Rot. Bonds8

About N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 171683445) has the molecular formula C31H32N2O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID171683445
Molecular FormulaC31H32N2O6
Molecular Weight528.61 g/mol
Exact Mass528.23
IUPAC NameN-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5occc5c4)CC3)cc2)cc(OC)c1OC
InChIInChI=1S/C31H32N2O6/c1-36-27-16-20(17-28(37-2)30(27)38-3)18-29(34)32-25-7-4-21(5-8-25)22-10-13-33(14-11-22)31(35)24-6-9-26-23(19-24)12-15-39-26/h4-9,12,15-17,19,22H,10-11,13-14,18H2,1-3H3,(H,32,34)
InChIKeyJESHYPSCJVQDSC-UHFFFAOYSA-N
XLogP5.66
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
CID 171683710
2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide
CID 171684328
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749353

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 171683445) is N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5occc5c4)CC3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JESHYPSCJVQDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O6/c1-36-27-16-20(17-28(37-2)30(27)38-3)18-29(34)32-25-7-4-21(5-8-25)22-10-13-33(14-11-22)31(35)24-6-9-26-23(19-24)12-15-39-26/h4-9,12,15-17,19,22H,10-11,13-14,18H2,1-3H3,(H,32,34).
What are the key properties of N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 528.61 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 171683445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).