2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide

C23H32ClN3O — CID 22193970

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3O/c24-21-3-1-16(2-4-21)14-25-22(28)15-26-5-7-27(8-6-26)23-19-10-17-9-18(12-19)13-20(23)11-17/h1-4,17-20,23H,5-15H2,(H,25,28)
InChIKeyNIGUBAREZUZPSZ-UHFFFAOYSA-N
MW401.98 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 22193970) 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-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID22193970
Molecular FormulaC23H32ClN3O
Molecular Weight401.98 g/mol
Exact Mass401.22
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3O/c24-21-3-1-16(2-4-21)14-25-22(28)15-26-5-7-27(8-6-26)23-19-10-17-9-18(12-19)13-20(23)11-17/h1-4,17-20,23H,5-15H2,(H,25,28)
InChIKeyNIGUBAREZUZPSZ-UHFFFAOYSA-N
XLogP3.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.98
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 22193927
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 17266977
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
CID 167978850
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide (CID 22193970) is 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide is O=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is NIGUBAREZUZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O/c24-21-3-1-16(2-4-21)14-25-22(28)15-26-5-7-27(8-6-26)23-19-10-17-9-18(12-19)13-20(23)11-17/h1-4,17-20,23H,5-15H2,(H,25,28).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 401.98 g/mol, XLogP of 3.40, 5 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-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 22193970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).