N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide

C24H32ClN3O2 — CID 17177126

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H32ClN3O2/c1-16(29)27-5-7-28(8-6-27)23-20(25)3-2-4-21(23)26-22(30)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,17-19H,5-15H2,1H3,(H,26,30)
InChIKeyJUFTXZIYTZLQBX-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.55
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide (PubChem CID 17177126) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
PubChem CID17177126
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H32ClN3O2/c1-16(29)27-5-7-28(8-6-27)23-20(25)3-2-4-21(23)26-22(30)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,17-19H,5-15H2,1H3,(H,26,30)
InChIKeyJUFTXZIYTZLQBX-UHFFFAOYSA-N
XLogP4.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17177108
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 17027292
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17066177
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide (CID 17177126) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide is CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide?
The InChIKey is JUFTXZIYTZLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-16(29)27-5-7-28(8-6-27)23-20(25)3-2-4-21(23)26-22(30)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,17-19H,5-15H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide has a molecular weight of 429.99 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide is sourced from PubChem (CID 17177126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).