2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C16H22N2O3 — CID 62654429

IUPAC2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCC1C=O
InChIInChI=1S/C16H22N2O3/c1-21-15-8-3-2-6-13(15)10-17-16(20)11-18-9-5-4-7-14(18)12-19/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3,(H,17,20)
InChIKeyWVEAMPYIVCGGFB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.36
Rot. Bonds6

About 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 62654429) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID62654429
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCC1C=O
InChIInChI=1S/C16H22N2O3/c1-21-15-8-3-2-6-13(15)10-17-16(20)11-18-9-5-4-7-14(18)12-19/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3,(H,17,20)
InChIKeyWVEAMPYIVCGGFB-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56500927
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2677102
2-[(4S,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;formic acid
CID 154914347
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 62654429) is 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCCCC1C=O.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is WVEAMPYIVCGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15-8-3-2-6-13(15)10-17-16(20)11-18-9-5-4-7-14(18)12-19/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3,(H,17,20).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 62654429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).