N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

C19H22ClN3O2 — CID 171716413

IUPACN-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-17-8-2-14(3-9-17)18(23-12-10-21-11-13-23)19(24)22-16-6-4-15(20)5-7-16/h2-9,18,21H,10-13H2,1H3,(H,22,24)
InChIKeyBBCFPRIMBMIEOF-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.93
Rot. Bonds5

About N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 171716413) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID171716413
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-17-8-2-14(3-9-17)18(23-12-10-21-11-13-23)19(24)22-16-6-4-15(20)5-7-16/h2-9,18,21H,10-13H2,1H3,(H,22,24)
InChIKeyBBCFPRIMBMIEOF-UHFFFAOYSA-N
XLogP2.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716410
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
CID 7279087
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
N'-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16830345
N'-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631458
(3S,4S)-1-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120648
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (CID 171716413) is N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is COc1ccc(C(C(=O)Nc2ccc(Cl)cc2)N2CCNCC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is BBCFPRIMBMIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-17-8-2-14(3-9-17)18(23-12-10-21-11-13-23)19(24)22-16-6-4-15(20)5-7-16/h2-9,18,21H,10-13H2,1H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 359.86 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 171716413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).