N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide

C16H23ClN4O2 — CID 120981027

IUPACN-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
SMILESCN(CCC(=O)N1CCNCC1)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4O2/c1-20(8-5-16(23)21-9-6-18-7-10-21)12-15(22)19-14-4-2-3-13(17)11-14/h2-4,11,18H,5-10,12H2,1H3,(H,19,22)
InChIKeyAHCARSPBEYJLPX-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.03
Rot. Bonds6

About N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide

N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide (PubChem CID 120981027) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
PubChem CID120981027
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
SMILESCN(CCC(=O)N1CCNCC1)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4O2/c1-20(8-5-16(23)21-9-6-18-7-10-21)12-15(22)19-14-4-2-3-13(17)11-14/h2-4,11,18H,5-10,12H2,1H3,(H,19,22)
InChIKeyAHCARSPBEYJLPX-UHFFFAOYSA-N
XLogP1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417
N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
CID 120981664

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide (CID 120981027) is N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide is CN(CCC(=O)N1CCNCC1)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide?
The InChIKey is AHCARSPBEYJLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-20(8-5-16(23)21-9-6-18-7-10-21)12-15(22)19-14-4-2-3-13(17)11-14/h2-4,11,18H,5-10,12H2,1H3,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide?
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide has a molecular weight of 338.84 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide is sourced from PubChem (CID 120981027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).