N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide

C13H27N3O — CID 115189037

IUPACN,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-5-8-15(4)12(17)13(2,3)11-16-9-6-14-7-10-16/h14H,5-11H2,1-4H3
InChIKeyBKRGPJUJSRSXFC-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds5

About N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide

N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide (PubChem CID 115189037) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
PubChem CID115189037
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-5-8-15(4)12(17)13(2,3)11-16-9-6-14-7-10-16/h14H,5-11H2,1-4H3
InChIKeyBKRGPJUJSRSXFC-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
CID 115189056
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
1-(2,2-dimethylpentyl)piperazine
CID 83530331
(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
CID 167431823
2,2-dimethyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-one
CID 116924002
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
1-(2-methyl-2-propylsulfonylpropyl)piperazine
CID 117037847
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548520
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide?
The IUPAC name of N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide (CID 115189037) is N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide.
What is the SMILES notation for N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide?
The canonical SMILES for N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide is CCCN(C)C(=O)C(C)(C)CN1CCNCC1.
What is the InChIKey of N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide?
The InChIKey is BKRGPJUJSRSXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-8-15(4)12(17)13(2,3)11-16-9-6-14-7-10-16/h14H,5-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide?
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide is sourced from PubChem (CID 115189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).