2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide

C20H23FN2O2 — CID 97427776

IUPAC2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O2/c1-25-19-3-2-12-23(14-19)18-10-8-17(9-11-18)22-20(24)13-15-4-6-16(21)7-5-15/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyXPIYRRCVWHBYQV-IBGZPJMESA-N
MW342.41 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide (PubChem CID 97427776) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
PubChem CID97427776
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O2/c1-25-19-3-2-12-23(14-19)18-10-8-17(9-11-18)22-20(24)13-15-4-6-16(21)7-5-15/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyXPIYRRCVWHBYQV-IBGZPJMESA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide (CID 97427776) is 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide is CO[C@H]1CCCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The InChIKey is XPIYRRCVWHBYQV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-19-3-2-12-23(14-19)18-10-8-17(9-11-18)22-20(24)13-15-4-6-16(21)7-5-15/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 97427776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).