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

C17H26N4O2 — CID 108957240

IUPAC2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-15(22)17(3,4)16(23)21-11-9-20(10-12-21)14-7-5-6-8-18-14/h5-8,13H,9-12H2,1-4H3,(H,19,22)
InChIKeyMHUISVLTCNYFCN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.28
Rot. Bonds4

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

2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108957240) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID108957240
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-15(22)17(3,4)16(23)21-11-9-20(10-12-21)14-7-5-6-8-18-14/h5-8,13H,9-12H2,1-4H3,(H,19,22)
InChIKeyMHUISVLTCNYFCN-UHFFFAOYSA-N
XLogP1.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957634
2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108961700
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 108957240) is 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C)NC(=O)C(C)(C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is MHUISVLTCNYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)19-15(22)17(3,4)16(23)21-11-9-20(10-12-21)14-7-5-6-8-18-14/h5-8,13H,9-12H2,1-4H3,(H,19,22).
What are the key properties of 2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.28, 4 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-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108957240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).