2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide

C18H27N3O2 — CID 108960695

IUPAC2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
SMILESCN1CCN(C(=O)C(C)(C)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,17(23)21-13-11-20(3)12-14-21)16(22)19-10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)
InChIKeyOLYDAQCBKPTZKB-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.15
Rot. Bonds5

About 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide

2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide (PubChem CID 108960695) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
PubChem CID108960695
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
SMILESCN1CCN(C(=O)C(C)(C)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,17(23)21-13-11-20(3)12-14-21)16(22)19-10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)
InChIKeyOLYDAQCBKPTZKB-UHFFFAOYSA-N
XLogP1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108960698
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(2-phenylethyl)propanamide
CID 108963817
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2974787
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228
3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108964802
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
ethyl 4-[3-(benzylamino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108961528

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide (CID 108960695) is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide is CN1CCN(C(=O)C(C)(C)C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The InChIKey is OLYDAQCBKPTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,17(23)21-13-11-20(3)12-14-21)16(22)19-10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22).
What are the key properties of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 108960695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).