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

C22H30ClN3O — CID 17349385

IUPAC2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H30ClN3O/c23-19-3-1-2-4-20(19)24-21(27)15-25-5-7-26(8-6-25)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)
InChIKeyYYZAHAKPZUGBSW-UHFFFAOYSA-N
MW387.96 g/mol
LogP3.86
Rot. Bonds4

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

2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 17349385) has the molecular formula C22H30ClN3O and a molecular weight of 387.96 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID17349385
Molecular FormulaC22H30ClN3O
Molecular Weight387.96 g/mol
Exact Mass387.21
IUPAC Name2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H30ClN3O/c23-19-3-1-2-4-20(19)24-21(27)15-25-5-7-26(8-6-25)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)
InChIKeyYYZAHAKPZUGBSW-UHFFFAOYSA-N
XLogP3.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22193926
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 17349385) is 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is YYZAHAKPZUGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O/c23-19-3-1-2-4-20(19)24-21(27)15-25-5-7-26(8-6-25)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27).
What are the key properties of 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 387.96 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 17349385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).