N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide

C28H37FN2O4 — CID 26280456

IUPACN-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C28H37FN2O4/c1-19-23(12-15-34-19)27(33)30(4)25(17-21-7-5-6-8-24(21)29)20-9-13-31(14-10-20)26(32)22-11-16-35-28(2,3)18-22/h5-8,12,15,20,22,25H,9-11,13-14,16-18H2,1-4H3/t22-,25+/m0/s1
InChIKeyAWGZFZRRXLZGNF-WIOPSUGQSA-N
MW484.61 g/mol
LogP4.85
Rot. Bonds6

About N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide

N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 26280456) has the molecular formula C28H37FN2O4 and a molecular weight of 484.61 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID26280456
Molecular FormulaC28H37FN2O4
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC NameN-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C28H37FN2O4/c1-19-23(12-15-34-19)27(33)30(4)25(17-21-7-5-6-8-24(21)29)20-9-13-31(14-10-20)26(32)22-11-16-35-28(2,3)18-22/h5-8,12,15,20,22,25H,9-11,13-14,16-18H2,1-4H3/t22-,25+/m0/s1
InChIKeyAWGZFZRRXLZGNF-WIOPSUGQSA-N
XLogP4.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)-1-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45192419
N-[(1S)-2-(2-fluorophenyl)-1-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42380705
N-[2-(2-fluorophenyl)-1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45249461
N-[(1S)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42273995
N-[(1R)-1-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42436409
N-[(1R)-1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42422450
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908
N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 118754266
N-[2-(2-fluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45169122
N,2-dimethyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 126464322
N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 29257696
N-[(1S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352988

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide (CID 26280456) is N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1.
What is the InChIKey of N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is AWGZFZRRXLZGNF-WIOPSUGQSA-N. The full InChI is InChI=1S/C28H37FN2O4/c1-19-23(12-15-34-19)27(33)30(4)25(17-21-7-5-6-8-24(21)29)20-9-13-31(14-10-20)26(32)22-11-16-35-28(2,3)18-22/h5-8,12,15,20,22,25H,9-11,13-14,16-18H2,1-4H3/t22-,25+/m0/s1.
What are the key properties of N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide?
N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 484.61 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 26280456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).