2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide

C23H32ClN3O — CID 17266977

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C23H32ClN3O/c1-15-2-3-20(24)13-21(15)25-22(28)14-26-4-6-27(7-5-26)23-18-9-16-8-17(11-18)12-19(23)10-16/h2-3,13,16-19,23H,4-12,14H2,1H3,(H,25,28)
InChIKeyRRFSWJCSFTXQCY-UHFFFAOYSA-N
MW401.98 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide

2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 17266977) has the molecular formula C23H32ClN3O and a molecular weight of 401.98 g/mol. Its IUPAC name is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID17266977
Molecular FormulaC23H32ClN3O
Molecular Weight401.98 g/mol
Exact Mass401.22
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C23H32ClN3O/c1-15-2-3-20(24)13-21(15)25-22(28)14-26-4-6-27(7-5-26)23-18-9-16-8-17(11-18)12-19(23)10-16/h2-3,13,16-19,23H,4-12,14H2,1H3,(H,25,28)
InChIKeyRRFSWJCSFTXQCY-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.98
LogP ≤ 54.03
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-(5-chloro-2-pyridinyl)acetamide
CID 17270594
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22193926
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119923981
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
N-(5-chloro-2-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide (CID 17266977) is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is RRFSWJCSFTXQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O/c1-15-2-3-20(24)13-21(15)25-22(28)14-26-4-6-27(7-5-26)23-18-9-16-8-17(11-18)12-19(23)10-16/h2-3,13,16-19,23H,4-12,14H2,1H3,(H,25,28).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 401.98 g/mol, XLogP of 4.03, 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-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 17266977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).