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

C16H23N3O2 — CID 108944340

IUPAC3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
SMILESCN1CCN(C(=O)CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-9-11-19(12-10-18)16(21)13-15(20)17-8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)
InChIKeyNQXIAQYACMLZIP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds5

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

3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide (PubChem CID 108944340) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
PubChem CID108944340
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
SMILESCN1CCN(C(=O)CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-9-11-19(12-10-18)16(21)13-15(20)17-8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)
InChIKeyNQXIAQYACMLZIP-UHFFFAOYSA-N
XLogP0.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.51
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-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2974787
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108944698

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide (CID 108944340) is 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide is CN1CCN(C(=O)CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
The InChIKey is NQXIAQYACMLZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-9-11-19(12-10-18)16(21)13-15(20)17-8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20).
What are the key properties of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide?
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 108944340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).