2-(4-benzylpiperidin-1-ium-1-yl)acetamide

C14H21N2O+ — CID 40636152

IUPAC2-(4-benzylpiperidin-1-ium-1-yl)acetamide
SMILESNC(=O)C[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-14(17)11-16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/p+1
InChIKeyBTJVFOMLHDYBGE-UHFFFAOYSA-O
MW233.34 g/mol
LogP0.01
Rot. Bonds4

About 2-(4-benzylpiperidin-1-ium-1-yl)acetamide

2-(4-benzylpiperidin-1-ium-1-yl)acetamide (PubChem CID 40636152) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-ium-1-yl)acetamide
PubChem CID40636152
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC Name2-(4-benzylpiperidin-1-ium-1-yl)acetamide
SMILESNC(=O)C[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-14(17)11-16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/p+1
InChIKeyBTJVFOMLHDYBGE-UHFFFAOYSA-O
XLogP0.01
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide
CID 9430527
3-(4-benzylpiperidin-1-ium-1-yl)-2,2-dimethylpropanoate
CID 42206463
2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 7430136
1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8542830
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-[(4-benzylpiperidin-1-ium-1-yl)methoxy]benzoate
CID 42301740
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 2697635
2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8543374
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol
CID 7897158
2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8904524
3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539003

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)acetamide (CID 40636152) is 2-(4-benzylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-ium-1-yl)acetamide is NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is BTJVFOMLHDYBGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O/c15-14(17)11-16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/p+1.
What are the key properties of 2-(4-benzylpiperidin-1-ium-1-yl)acetamide?
2-(4-benzylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 233.34 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 40636152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).