2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C16H25N3O2 — CID 63759527

IUPAC2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCCC2CCN)cc1
InChIInChI=1S/C16H25N3O2/c1-21-15-7-5-13(6-8-15)18-16(20)12-19-11-3-2-4-14(19)9-10-17/h5-8,14H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyOVWUGSVBGTXZEB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 63759527) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID63759527
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCCC2CCN)cc1
InChIInChI=1S/C16H25N3O2/c1-21-15-7-5-13(6-8-15)18-16(20)12-19-11-3-2-4-14(19)9-10-17/h5-8,14H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyOVWUGSVBGTXZEB-UHFFFAOYSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
CID 83052129
2-[2-(aminomethyl)azepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 116640393
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 63759527) is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCCCC2CCN)cc1.
What is the InChIKey of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OVWUGSVBGTXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-15-7-5-13(6-8-15)18-16(20)12-19-11-3-2-4-14(19)9-10-17/h5-8,14H,2-4,9-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 63759527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).