2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

C17H27N3O — CID 63848456

IUPAC2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCNCC1CCCN(CC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C17H27N3O/c1-3-18-11-15-7-5-9-20(12-15)13-17(21)19-16-8-4-6-14(2)10-16/h4,6,8,10,15,18H,3,5,7,9,11-13H2,1-2H3,(H,19,21)
InChIKeyKZYKSCKDFYHSQB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 63848456) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID63848456
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCNCC1CCCN(CC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C17H27N3O/c1-3-18-11-15-7-5-9-20(12-15)13-17(21)19-16-8-4-6-14(2)10-16/h4,6,8,10,15,18H,3,5,7,9,11-13H2,1-2H3,(H,19,21)
InChIKeyKZYKSCKDFYHSQB-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 63848456) is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is CCNCC1CCCN(CC(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KZYKSCKDFYHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-18-11-15-7-5-9-20(12-15)13-17(21)19-16-8-4-6-14(2)10-16/h4,6,8,10,15,18H,3,5,7,9,11-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 63848456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).