N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

C29H32F2N2O3 — CID 42346920

IUPACN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(/C=C/CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C29H32F2N2O3/c1-32(29(34)28-6-4-18-36-28)27(19-23-9-10-24(30)20-26(23)31)22-13-16-33(17-14-22)15-3-5-21-7-11-25(35-2)12-8-21/h3-12,18,20,22,27H,13-17,19H2,1-2H3/b5-3+/t27-/m1/s1
InChIKeyAKGBEISSEZILHR-VJZXDCJYSA-N
MW494.58 g/mol
LogP5.68
Rot. Bonds9

About N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 42346920) has the molecular formula C29H32F2N2O3 and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID42346920
Molecular FormulaC29H32F2N2O3
Molecular Weight494.58 g/mol
Exact Mass494.24
IUPAC NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(/C=C/CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C29H32F2N2O3/c1-32(29(34)28-6-4-18-36-28)27(19-23-9-10-24(30)20-26(23)31)22-13-16-33(17-14-22)15-3-5-21-7-11-25(35-2)12-8-21/h3-12,18,20,22,27H,13-17,19H2,1-2H3/b5-3+/t27-/m1/s1
InChIKeyAKGBEISSEZILHR-VJZXDCJYSA-N
XLogP5.68
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42462495
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42345770
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42541793
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908
N-[(1R)-2-(3-methoxyphenyl)-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26403696
N-[2-(3-methoxyphenyl)-1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 118757312
N-[(1R)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 26278075
N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
CID 42539918
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42213471
N-[2-(2-fluorophenyl)-1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45249461
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 26348293
N-[(1R)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 42331233

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (CID 42346920) is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is COc1ccc(/C=C/CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is AKGBEISSEZILHR-VJZXDCJYSA-N. The full InChI is InChI=1S/C29H32F2N2O3/c1-32(29(34)28-6-4-18-36-28)27(19-23-9-10-24(30)20-26(23)31)22-13-16-33(17-14-22)15-3-5-21-7-11-25(35-2)12-8-21/h3-12,18,20,22,27H,13-17,19H2,1-2H3/b5-3+/t27-/m1/s1.
What are the key properties of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 42346920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).