2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C13H27N3O — CID 60707604

IUPAC2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)12(17)14-6-5-7-16-10-8-15(4)9-11-16/h5-11H2,1-4H3,(H,14,17)
InChIKeyAHUODQPDZZDHRJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds4

About 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 60707604) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID60707604
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,3)12(17)14-6-5-7-16-10-8-15(4)9-11-16/h5-11H2,1-4H3,(H,14,17)
InChIKeyAHUODQPDZZDHRJ-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 60707604) is 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is CN1CCN(CCCNC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is AHUODQPDZZDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)12(17)14-6-5-7-16-10-8-15(4)9-11-16/h5-11H2,1-4H3,(H,14,17).
What are the key properties of 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 60707604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).