N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide

C17H26N2O2 — CID 110877728

IUPACN-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-14(19-10-6-9-16(12-19)13-20)17(21)18(2)11-15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,6,9-13H2,1-2H3
InChIKeyNYGOZBIXOFFKDI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds5

About N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide

N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide (PubChem CID 110877728) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
PubChem CID110877728
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-14(19-10-6-9-16(12-19)13-20)17(21)18(2)11-15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,6,9-13H2,1-2H3
InChIKeyNYGOZBIXOFFKDI-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110884207
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 111543826
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-benzyl-N-methylpropanamide;hydrochloride
CID 120760688
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide
CID 52505623
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
N-benzyl-N-methyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 78827592
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
1-[1-[(4-bromophenyl)methyl-methylamino]-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904685

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide (CID 110877728) is N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is NYGOZBIXOFFKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(19-10-6-9-16(12-19)13-20)17(21)18(2)11-15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,6,9-13H2,1-2H3.
What are the key properties of N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 110877728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).