N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide

C16H24ClN3O — CID 79701270

IUPACN-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12-3-4-15(14(17)9-12)19-16(21)11-20(2)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeySWOOECGHXTZMEM-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.52
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide

N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (PubChem CID 79701270) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
PubChem CID79701270
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12-3-4-15(14(17)9-12)19-16(21)11-20(2)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeySWOOECGHXTZMEM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (CID 79701270) is N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CC2CCNCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The InChIKey is SWOOECGHXTZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-3-4-15(14(17)9-12)19-16(21)11-20(2)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 79701270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).