N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C15H23Cl2N3O — CID 119923478

IUPACN-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11-3-4-13(9-14(11)16)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyKKKWWSNEDBHVKN-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.69
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119923478) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119923478
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11-3-4-13(9-14(11)16)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyKKKWWSNEDBHVKN-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119923478) is N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is KKKWWSNEDBHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-11-3-4-13(9-14(11)16)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.69, 4 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-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119923478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).