N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide

C15H23N3O — CID 16779184

IUPACN-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-8-18(12)11-15(19)17-14-7-4-6-13(9-14)10-16/h4,6-7,9,12H,2-3,5,8,10-11,16H2,1H3,(H,17,19)
InChIKeyXPVLHUCIFKOOBY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide

N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 16779184) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID16779184
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-8-18(12)11-15(19)17-14-7-4-6-13(9-14)10-16/h4,6-7,9,12H,2-3,5,8,10-11,16H2,1H3,(H,17,19)
InChIKeyXPVLHUCIFKOOBY-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide (CID 16779184) is N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is XPVLHUCIFKOOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-2-3-8-18(12)11-15(19)17-14-7-4-6-13(9-14)10-16/h4,6-7,9,12H,2-3,5,8,10-11,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16779184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).