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

C22H27N3O3 — CID 121141569

IUPAC2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)C1
InChIInChI=1S/C22H27N3O3/c1-16(26)23-18-7-5-17(6-8-18)14-22(27)24-19-9-11-20(12-10-19)25-13-3-4-21(15-25)28-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKSUKPTAJPFADCG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds6

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

2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 121141569) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID121141569
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)C1
InChIInChI=1S/C22H27N3O3/c1-16(26)23-18-7-5-17(6-8-18)14-22(27)24-19-9-11-20(12-10-19)25-13-3-4-21(15-25)28-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKSUKPTAJPFADCG-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
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
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
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (CID 121141569) is 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is COC1CCCN(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)C1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is KSUKPTAJPFADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(26)23-18-7-5-17(6-8-18)14-22(27)24-19-9-11-20(12-10-19)25-13-3-4-21(15-25)28-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 121141569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).