2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C17H24N4O2 — CID 108957634

IUPAC2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-4-8-19-15(22)17(2,3)16(23)21-12-10-20(11-13-21)14-7-5-6-9-18-14/h4-7,9H,1,8,10-13H2,2-3H3,(H,19,22)
InChIKeyOYZLSMUAQNQXCZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.06
Rot. Bonds5

About 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108957634) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID108957634
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-4-8-19-15(22)17(2,3)16(23)21-12-10-20(11-13-21)14-7-5-6-9-18-14/h4-7,9H,1,8,10-13H2,2-3H3,(H,19,22)
InChIKeyOYZLSMUAQNQXCZ-UHFFFAOYSA-N
XLogP1.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108961700
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide
CID 108957628
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 7998646
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 108957634) is 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is C=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is OYZLSMUAQNQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-8-19-15(22)17(2,3)16(23)21-12-10-20(11-13-21)14-7-5-6-9-18-14/h4-7,9H,1,8,10-13H2,2-3H3,(H,19,22).
What are the key properties of 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108957634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).