2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

C23H23Cl2N3O — CID 22194778

IUPAC2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H23Cl2N3O/c24-20-9-8-17(14-21(20)25)15-27-10-12-28(13-11-27)16-23(29)26-22-7-3-5-18-4-1-2-6-19(18)22/h1-9,14H,10-13,15-16H2,(H,26,29)
InChIKeyLXRHPMZUIWODGB-UHFFFAOYSA-N
MW428.36 g/mol
LogP4.90
Rot. Bonds5

About 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 22194778) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID22194778
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H23Cl2N3O/c24-20-9-8-17(14-21(20)25)15-27-10-12-28(13-11-27)16-23(29)26-22-7-3-5-18-4-1-2-6-19(18)22/h1-9,14H,10-13,15-16H2,(H,26,29)
InChIKeyLXRHPMZUIWODGB-UHFFFAOYSA-N
XLogP4.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9126554
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 17426240
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 22194789
4-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 34708303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 22194778) is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is LXRHPMZUIWODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c24-20-9-8-17(14-21(20)25)15-27-10-12-28(13-11-27)16-23(29)26-22-7-3-5-18-4-1-2-6-19(18)22/h1-9,14H,10-13,15-16H2,(H,26,29).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 428.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 22194778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).