2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide

C22H29Cl2N3O — CID 22193926

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H29Cl2N3O/c23-18-2-1-3-19(21(18)24)25-20(28)13-26-4-6-27(7-5-26)22-16-9-14-8-15(11-16)12-17(22)10-14/h1-3,14-17,22H,4-13H2,(H,25,28)
InChIKeyUANOXOXWNMYADK-UHFFFAOYSA-N
MW422.40 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide

2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 22193926) has the molecular formula C22H29Cl2N3O and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID22193926
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.40 g/mol
Exact Mass421.17
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H29Cl2N3O/c23-18-2-1-3-19(21(18)24)25-20(28)13-26-4-6-27(7-5-26)22-16-9-14-8-15(11-16)12-17(22)10-14/h1-3,14-17,22H,4-13H2,(H,25,28)
InChIKeyUANOXOXWNMYADK-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 22193927
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 17266977
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17349385
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
N-(2,3-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017466
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide (CID 22193926) is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide is O=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is UANOXOXWNMYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O/c23-18-2-1-3-19(21(18)24)25-20(28)13-26-4-6-27(7-5-26)22-16-9-14-8-15(11-16)12-17(22)10-14/h1-3,14-17,22H,4-13H2,(H,25,28).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 422.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 22193926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).