N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide

C17H35N3O — CID 80550578

IUPACN-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCCC(C)(C)CNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C17H35N3O/c1-6-7-8-9-16(2,3)14-19-15(21)17(4,5)20-12-10-18-11-13-20/h18H,6-14H2,1-5H3,(H,19,21)
InChIKeyQJCALBPKHWYKTJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.39
Rot. Bonds8

About N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80550578) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80550578
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCCC(C)(C)CNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C17H35N3O/c1-6-7-8-9-16(2,3)14-19-15(21)17(4,5)20-12-10-18-11-13-20/h18H,6-14H2,1-5H3,(H,19,21)
InChIKeyQJCALBPKHWYKTJ-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80550578) is N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide is CCCCCC(C)(C)CNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is QJCALBPKHWYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-7-8-9-16(2,3)14-19-15(21)17(4,5)20-12-10-18-11-13-20/h18H,6-14H2,1-5H3,(H,19,21).
What are the key properties of N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 297.49 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80550578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).