N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide

C17H25N3O2 — CID 86918794

IUPACN-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N2CCC(C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-7-9-20(10-8-12)13(2)17(22)19-16-6-4-5-15(11-16)18-14(3)21/h4-6,11-13H,7-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUPYNNRVGMADRFM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.70
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide

N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 86918794) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID86918794
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N2CCC(C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-7-9-20(10-8-12)13(2)17(22)19-16-6-4-5-15(11-16)18-14(3)21/h4-6,11-13H,7-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUPYNNRVGMADRFM-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 86918794) is N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide is CC(=O)Nc1cccc(NC(=O)C(C)N2CCC(C)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is UPYNNRVGMADRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-7-9-20(10-8-12)13(2)17(22)19-16-6-4-5-15(11-16)18-14(3)21/h4-6,11-13H,7-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 86918794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).