2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide

C19H25N3O3 — CID 113097513

IUPAC2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
SMILESCc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCC2)CC1
InChIInChI=1S/C19H25N3O3/c1-14-5-2-3-8-16(14)21-9-11-22(12-10-21)17(23)13-20-19(25)18(24)15-6-4-7-15/h2-3,5,8,15H,4,6-7,9-13H2,1H3,(H,20,25)
InChIKeyACJCHQWGFOIPIA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.13
Rot. Bonds5

About 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide

2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide (PubChem CID 113097513) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
PubChem CID113097513
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
SMILESCc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCC2)CC1
InChIInChI=1S/C19H25N3O3/c1-14-5-2-3-8-16(14)21-9-11-22(12-10-21)17(23)13-20-19(25)18(24)15-6-4-7-15/h2-3,5,8,15H,4,6-7,9-13H2,1H3,(H,20,25)
InChIKeyACJCHQWGFOIPIA-UHFFFAOYSA-N
XLogP1.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097478
ethyl 2-[[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097511
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
CID 113097881
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-butylsulfonyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097520
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide?
The IUPAC name of 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide (CID 113097513) is 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide?
The canonical SMILES for 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide is Cc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCC2)CC1.
What is the InChIKey of 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide?
The InChIKey is ACJCHQWGFOIPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-5-2-3-8-16(14)21-9-11-22(12-10-21)17(23)13-20-19(25)18(24)15-6-4-7-15/h2-3,5,8,15H,4,6-7,9-13H2,1H3,(H,20,25).
What are the key properties of 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide?
2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide is sourced from PubChem (CID 113097513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).