N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide

C22H20ClN3O2 — CID 46435266

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2Cl)CCN1
InChIInChI=1S/C22H20ClN3O2/c23-19-13-18(7-8-20(19)26-10-9-24-22(28)14-26)25-21(27)12-15-5-6-16-3-1-2-4-17(16)11-15/h1-8,11,13H,9-10,12,14H2,(H,24,28)(H,25,27)
InChIKeyRYIWTJYOVAVSQB-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.61
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide (PubChem CID 46435266) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
PubChem CID46435266
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2Cl)CCN1
InChIInChI=1S/C22H20ClN3O2/c23-19-13-18(7-8-20(19)26-10-9-24-22(28)14-26)25-21(27)12-15-5-6-16-3-1-2-4-17(16)11-15/h1-8,11,13H,9-10,12,14H2,(H,24,28)(H,25,27)
InChIKeyRYIWTJYOVAVSQB-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55763362
2-(4-bromophenyl)sulfanyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]acetamide
CID 55661614
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55710834
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55710718
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 46468209
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55661987
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyanilino)benzamide
CID 60509898
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56540897

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide (CID 46435266) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide is O=C1CN(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide?
The InChIKey is RYIWTJYOVAVSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-19-13-18(7-8-20(19)26-10-9-24-22(28)14-26)25-21(27)12-15-5-6-16-3-1-2-4-17(16)11-15/h1-8,11,13H,9-10,12,14H2,(H,24,28)(H,25,27).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide has a molecular weight of 393.87 g/mol, XLogP of 3.61, 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-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 46435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).