N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide

C23H28N2O2 — CID 84868889

IUPACN-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-17(23(27)24-22-10-6-9-21(16-22)18(2)26)25-13-11-20(12-14-25)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,27)
InChIKeyKDDFLCZPNDDRBJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.17
Rot. Bonds6

About N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide

N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide (PubChem CID 84868889) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
PubChem CID84868889
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-17(23(27)24-22-10-6-9-21(16-22)18(2)26)25-13-11-20(12-14-25)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,27)
InChIKeyKDDFLCZPNDDRBJ-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258738
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide (CID 84868889) is N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide is CC(=O)c1cccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The InChIKey is KDDFLCZPNDDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(23(27)24-22-10-6-9-21(16-22)18(2)26)25-13-11-20(12-14-25)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide is sourced from PubChem (CID 84868889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).