2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride

C15H24ClN3O — CID 119915581

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
SMILESCc1cccc(NC(=O)CN2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12-4-2-6-14(8-12)17-15(19)11-18-7-3-5-13(9-16)10-18;/h2,4,6,8,13H,3,5,7,9-11,16H2,1H3,(H,17,19);1H
InChIKeyXBPSIWAOXFAITO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.03
Rot. Bonds4

About 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride

2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride (PubChem CID 119915581) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
PubChem CID119915581
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
SMILESCc1cccc(NC(=O)CN2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12-4-2-6-14(8-12)17-15(19)11-18-7-3-5-13(9-16)10-18;/h2,4,6,8,13H,3,5,7,9-11,16H2,1H3,(H,17,19);1H
InChIKeyXBPSIWAOXFAITO-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
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-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119915863
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride (CID 119915581) is 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride is Cc1cccc(NC(=O)CN2CCCC(CN)C2)c1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride?
The InChIKey is XBPSIWAOXFAITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-12-4-2-6-14(8-12)17-15(19)11-18-7-3-5-13(9-16)10-18;/h2,4,6,8,13H,3,5,7,9-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride?
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).