2-methyl-2-piperazin-1-yl-N-propylpropanamide

C11H23N3O — CID 80548473

IUPAC2-methyl-2-piperazin-1-yl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyBVTIFDLZAJFUJH-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.20
Rot. Bonds4

About 2-methyl-2-piperazin-1-yl-N-propylpropanamide

2-methyl-2-piperazin-1-yl-N-propylpropanamide (PubChem CID 80548473) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-propylpropanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-propylpropanamide
PubChem CID80548473
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-methyl-2-piperazin-1-yl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyBVTIFDLZAJFUJH-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-isopropyl-1-piperazineacetamide
CID 100826
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
Alanine anhydride, trans-(A+-)-
CID 676438
D-Alanine anhydride
CID 676439
1-(Piperazin-1-yl)propan-1-one
CID 3844375
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
N-{2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl}-2,2-dimethylpropanamide
CID 832086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-propylpropanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-propylpropanamide (CID 80548473) is 2-methyl-2-piperazin-1-yl-N-propylpropanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-propylpropanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-propylpropanamide is CCCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-propylpropanamide?
The InChIKey is BVTIFDLZAJFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h12H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-propylpropanamide?
2-methyl-2-piperazin-1-yl-N-propylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-propylpropanamide is sourced from PubChem (CID 80548473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).