3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C26H33FN2O3 — CID 25486755

IUPAC3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C26H33FN2O3/c1-19-17-23(32-2)13-14-24(19)28-25(30)15-10-21-6-4-16-29(18-21)26(31)7-3-5-20-8-11-22(27)12-9-20/h8-9,11-14,17,21H,3-7,10,15-16,18H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyQSCIQAVWDMYIRY-OAQYLSRUSA-N
MW440.56 g/mol
LogP5.12
Rot. Bonds9

About 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 25486755) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
PubChem CID25486755
Molecular FormulaC26H33FN2O3
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC Name3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C26H33FN2O3/c1-19-17-23(32-2)13-14-24(19)28-25(30)15-10-21-6-4-16-29(18-21)26(31)7-3-5-20-8-11-22(27)12-9-20/h8-9,11-14,17,21H,3-7,10,15-16,18H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyQSCIQAVWDMYIRY-OAQYLSRUSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
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-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45193218

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 25486755) is 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)c(C)c1.
What is the InChIKey of 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The InChIKey is QSCIQAVWDMYIRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-19-17-23(32-2)13-14-24(19)28-25(30)15-10-21-6-4-16-29(18-21)26(31)7-3-5-20-8-11-22(27)12-9-20/h8-9,11-14,17,21H,3-7,10,15-16,18H2,1-2H3,(H,28,30)/t21-/m1/s1.
What are the key properties of 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 440.56 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 25486755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).