N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide

C25H33N3O3 — CID 108534238

IUPACN-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c29-22(16-25-13-18-10-19(14-25)12-20(11-18)15-25)27-6-8-28(9-7-27)23(30)17-26-24(31)21-4-2-1-3-5-21/h1-5,18-20H,6-17H2,(H,26,31)
InChIKeyQEIHAEWPVFUQKP-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108534238) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID108534238
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c29-22(16-25-13-18-10-19(14-25)12-20(11-18)15-25)27-6-8-28(9-7-27)23(30)17-26-24(31)21-4-2-1-3-5-21/h1-5,18-20H,6-17H2,(H,26,31)
InChIKeyQEIHAEWPVFUQKP-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
1-(4-benzoylpiperazin-1-yl)-2-[(5R,7R)-3-hydroxy-1-adamantyl]ethanone
CID 98128914
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
2-(1-adamantyl)-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545363
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
CID 27800102
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 108534238) is N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QEIHAEWPVFUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-22(16-25-13-18-10-19(14-25)12-20(11-18)15-25)27-6-8-28(9-7-27)23(30)17-26-24(31)21-4-2-1-3-5-21/h1-5,18-20H,6-17H2,(H,26,31).
What are the key properties of N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108534238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).