2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide

C20H29N3O3 — CID 46027527

IUPAC2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-15(24)22-10-12-23(13-11-22)19(16-6-3-4-7-16)20(25)21-17-8-5-9-18(14-17)26-2/h5,8-9,14,16,19H,3-4,6-7,10-13H2,1-2H3,(H,21,25)
InChIKeySPLIMZNNRUQSSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide (PubChem CID 46027527) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide
PubChem CID46027527
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-15(24)22-10-12-23(13-11-22)19(16-6-3-4-7-16)20(25)21-17-8-5-9-18(14-17)26-2/h5,8-9,14,16,19H,3-4,6-7,10-13H2,1-2H3,(H,21,25)
InChIKeySPLIMZNNRUQSSI-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide (CID 46027527) is 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is SPLIMZNNRUQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(24)22-10-12-23(13-11-22)19(16-6-3-4-7-16)20(25)21-17-8-5-9-18(14-17)26-2/h5,8-9,14,16,19H,3-4,6-7,10-13H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46027527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).