N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C27H27F3N2O4 — CID 171683216

IUPACN-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3ccc(NC(=O)c4cc(C)oc4C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O4/c1-17-14-23(25(36-17)27(28,29)30)26(34)31-21-8-6-19(7-9-21)20-10-12-32(13-11-20)24(33)16-18-4-3-5-22(15-18)35-2/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,31,34)
InChIKeyOZJUOXRFIIJZFA-UHFFFAOYSA-N
MW500.52 g/mol
LogP5.82
Rot. Bonds6

About N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 171683216) has the molecular formula C27H27F3N2O4 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID171683216
Molecular FormulaC27H27F3N2O4
Molecular Weight500.52 g/mol
Exact Mass500.19
IUPAC NameN-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3ccc(NC(=O)c4cc(C)oc4C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O4/c1-17-14-23(25(36-17)27(28,29)30)26(34)31-21-8-6-19(7-9-21)20-10-12-32(13-11-20)24(33)16-18-4-3-5-22(15-18)35-2/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,31,34)
InChIKeyOZJUOXRFIIJZFA-UHFFFAOYSA-N
XLogP5.82
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 60591755
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
1-[4-(3,5-dimethylfuran-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 136512691
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
2-(3-methoxyphenyl)-1-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethanone
CID 48868130
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 171683216) is N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is COc1cccc(CC(=O)N2CCC(c3ccc(NC(=O)c4cc(C)oc4C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is OZJUOXRFIIJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O4/c1-17-14-23(25(36-17)27(28,29)30)26(34)31-21-8-6-19(7-9-21)20-10-12-32(13-11-20)24(33)16-18-4-3-5-22(15-18)35-2/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 171683216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).