N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

C17H24N2O3 — CID 110883945

IUPACN-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCC(O)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-12-3-5-14(6-4-12)16(18-13(2)20)11-17(22)19-9-7-15(21)8-10-19/h3-6,15-16,21H,7-11H2,1-2H3,(H,18,20)
InChIKeyKGAHBYFUZFMAFU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.55
Rot. Bonds4

About N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 110883945) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID110883945
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCC(O)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-12-3-5-14(6-4-12)16(18-13(2)20)11-17(22)19-9-7-15(21)8-10-19/h3-6,15-16,21H,7-11H2,1-2H3,(H,18,20)
InChIKeyKGAHBYFUZFMAFU-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 30136874
1-[3-acetamido-3-(4-methylphenyl)propanoyl]-N-butylpiperidine-4-carboxamide
CID 86985211
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
N-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 42934506
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
1-[3-acetamido-3-(4-methylphenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258935
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 110883945) is N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCC(O)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is KGAHBYFUZFMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-3-5-14(6-4-12)16(18-13(2)20)11-17(22)19-9-7-15(21)8-10-19/h3-6,15-16,21H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 110883945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).