2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

C17H23N3O2 — CID 110283482

IUPAC2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1NCCN(CC2CCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c21-16(19-14-7-2-1-3-8-14)11-15-17(22)20(10-9-18-15)12-13-5-4-6-13/h1-3,7-8,13,15,18H,4-6,9-12H2,(H,19,21)
InChIKeyDDZPPHJVYQCLQP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (PubChem CID 110283482) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
PubChem CID110283482
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1NCCN(CC2CCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c21-16(19-14-7-2-1-3-8-14)11-15-17(22)20(10-9-18-15)12-13-5-4-6-13/h1-3,7-8,13,15,18H,4-6,9-12H2,(H,19,21)
InChIKeyDDZPPHJVYQCLQP-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110283466
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (CID 110283482) is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is O=C(CC1NCCN(CC2CCC2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The InChIKey is DDZPPHJVYQCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-14-7-2-1-3-8-14)11-15-17(22)20(10-9-18-15)12-13-5-4-6-13/h1-3,7-8,13,15,18H,4-6,9-12H2,(H,19,21).
What are the key properties of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide has a molecular weight of 301.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 110283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).