2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide

C15H30N4O2 — CID 119391257

IUPAC2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)14(21)18-7-5-13(20)17-6-4-10-19-11-8-16-9-12-19/h16H,4-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFUWMUNMDOHYDII-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.05
Rot. Bonds7

About 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide (PubChem CID 119391257) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
PubChem CID119391257
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)14(21)18-7-5-13(20)17-6-4-10-19-11-8-16-9-12-19/h16H,4-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFUWMUNMDOHYDII-UHFFFAOYSA-N
XLogP-0.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide (CID 119391257) is 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide?
The InChIKey is FUWMUNMDOHYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-15(2,3)14(21)18-7-5-13(20)17-6-4-10-19-11-8-16-9-12-19/h16H,4-12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide has a molecular weight of 298.43 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide is sourced from PubChem (CID 119391257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).