2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide

C14H30N4O — CID 80550020

IUPAC2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C)N(C)CCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H30N4O/c1-12(2)17(5)9-8-16-13(19)14(3,4)18-10-6-15-7-11-18/h12,15H,6-11H2,1-5H3,(H,16,19)
InChIKeyCAJKJZFYVHDQMU-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.13
Rot. Bonds6

About 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 80550020) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
PubChem CID80550020
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C)N(C)CCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H30N4O/c1-12(2)17(5)9-8-16-13(19)14(3,4)18-10-6-15-7-11-18/h12,15H,6-11H2,1-5H3,(H,16,19)
InChIKeyCAJKJZFYVHDQMU-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide (CID 80550020) is 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide is CC(C)N(C)CCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is CAJKJZFYVHDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-12(2)17(5)9-8-16-13(19)14(3,4)18-10-6-15-7-11-18/h12,15H,6-11H2,1-5H3,(H,16,19).
What are the key properties of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80550020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).