N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

C16H24ClN3O — CID 63250254

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12-6-7-13(9-15(12)17)19-16(21)11-20-8-4-3-5-14(20)10-18-2/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeySGSXVYXHKHOFQH-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.66
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63250254) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63250254
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12-6-7-13(9-15(12)17)19-16(21)11-20-8-4-3-5-14(20)10-18-2/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeySGSXVYXHKHOFQH-UHFFFAOYSA-N
XLogP2.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
N-(3-chloro-4-cyanophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316750
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
N-(1,3-benzodioxol-5-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928499
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (CID 63250254) is N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is CNCC1CCCCN1CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is SGSXVYXHKHOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-6-7-13(9-15(12)17)19-16(21)11-20-8-4-3-5-14(20)10-18-2/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).