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

C22H29Cl2N3O — CID 22193927

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2N3O/c23-18-1-2-20(19(24)12-18)25-21(28)13-26-3-5-27(6-4-26)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12,14-17,22H,3-11,13H2,(H,25,28)
InChIKeyRQISEKGRQLFFOV-UHFFFAOYSA-N
MW422.40 g/mol
LogP4.37
Rot. Bonds4

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

2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 22193927) 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-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID22193927
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.40 g/mol
Exact Mass421.17
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2N3O/c23-18-1-2-20(19(24)12-18)25-21(28)13-26-3-5-27(6-4-26)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12,14-17,22H,3-11,13H2,(H,25,28)
InChIKeyRQISEKGRQLFFOV-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-(5-chloro-2-methylphenyl)acetamide
CID 17266977
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22193926
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide (CID 22193927) is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide is O=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is RQISEKGRQLFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O/c23-18-1-2-20(19(24)12-18)25-21(28)13-26-3-5-27(6-4-26)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12,14-17,22H,3-11,13H2,(H,25,28).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 22193927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).