3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C23H32N2O3 — CID 42241549

IUPAC3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(C)c1
InChIInChI=1S/C23H32N2O3/c1-16-12-21(28-18(16)3)15-25-11-5-6-19(14-25)7-10-23(26)24-22-9-8-20(27-4)13-17(22)2/h8-9,12-13,19H,5-7,10-11,14-15H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyZZUMPYMBUMZBOR-IBGZPJMESA-N
MW384.52 g/mol
LogP4.84
Rot. Bonds7

About 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 42241549) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
PubChem CID42241549
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(C)c1
InChIInChI=1S/C23H32N2O3/c1-16-12-21(28-18(16)3)15-25-11-5-6-19(14-25)7-10-23(26)24-22-9-8-20(27-4)13-17(22)2/h8-9,12-13,19H,5-7,10-11,14-15H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyZZUMPYMBUMZBOR-IBGZPJMESA-N
XLogP4.84
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide
CID 25369685
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97269318
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 26411235
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide
CID 26409779
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 45250387
3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25285978
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 42241549) is 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(C)c1.
What is the InChIKey of 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The InChIKey is ZZUMPYMBUMZBOR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16-12-21(28-18(16)3)15-25-11-5-6-19(14-25)7-10-23(26)24-22-9-8-20(27-4)13-17(22)2/h8-9,12-13,19H,5-7,10-11,14-15H2,1-4H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 42241549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).