N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide

C16H22N2O2 — CID 62656234

IUPACN-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCCCC1C=O
InChIInChI=1S/C16H22N2O2/c1-17(11-14-7-3-2-4-8-14)16(20)12-18-10-6-5-9-15(18)13-19/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyJILMJCRCWBODDY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds5

About N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide

N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide (PubChem CID 62656234) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
PubChem CID62656234
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCCCC1C=O
InChIInChI=1S/C16H22N2O2/c1-17(11-14-7-3-2-4-8-14)16(20)12-18-10-6-5-9-15(18)13-19/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyJILMJCRCWBODDY-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide (CID 62656234) is N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CCCCC1C=O.
What is the InChIKey of N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is JILMJCRCWBODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17(11-14-7-3-2-4-8-14)16(20)12-18-10-6-5-9-15(18)13-19/h2-4,7-8,13,15H,5-6,9-12H2,1H3.
What are the key properties of N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide?
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 62656234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).