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

C16H25Cl2N3O — CID 119914494

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2cccc(Cl)c2C)C1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-12-14(17)6-3-7-15(12)19-16(21)11-20-8-4-5-13(10-20)9-18-2;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,21);1H
InChIKeyLCUIYJBZQKTUNG-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.94
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119914494) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119914494
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2cccc(Cl)c2C)C1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-12-14(17)6-3-7-15(12)19-16(21)11-20-8-4-5-13(10-20)9-18-2;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,21);1H
InChIKeyLCUIYJBZQKTUNG-UHFFFAOYSA-N
XLogP2.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
2-(3-aminopiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119910035
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(3-chloro-2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]acetamide
CID 171327738
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119914494) is N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CNCC1CCCN(CC(=O)Nc2cccc(Cl)c2C)C1.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is LCUIYJBZQKTUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.ClH/c1-12-14(17)6-3-7-15(12)19-16(21)11-20-8-4-5-13(10-20)9-18-2;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119914494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).