2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide

C17H25N3O2 — CID 60510811

IUPAC2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
SMILESCC(=O)NCC1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-11-16-7-9-20(10-8-16)13-17(22)19-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyPXMJXYBGULHTJC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide

2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide (PubChem CID 60510811) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
PubChem CID60510811
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
SMILESCC(=O)NCC1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-11-16-7-9-20(10-8-16)13-17(22)19-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyPXMJXYBGULHTJC-UHFFFAOYSA-N
XLogP1.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
CID 102736682
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide (CID 60510811) is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide is CC(=O)NCC1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide?
The InChIKey is PXMJXYBGULHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)18-11-16-7-9-20(10-8-16)13-17(22)19-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide?
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 60510811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).