2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone

C11H21N3O — CID 82508390

IUPAC2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone
SMILESCC1(C)CC1NCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O/c1-11(2)7-9(11)13-8-10(15)14-5-3-12-4-6-14/h9,12-13H,3-8H2,1-2H3
InChIKeyCNASJJGWSPALIA-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.19
Rot. Bonds3

About 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone

2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone (PubChem CID 82508390) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone
PubChem CID82508390
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone
SMILESCC1(C)CC1NCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O/c1-11(2)7-9(11)13-8-10(15)14-5-3-12-4-6-14/h9,12-13H,3-8H2,1-2H3
InChIKeyCNASJJGWSPALIA-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone (CID 82508390) is 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone is CC1(C)CC1NCC(=O)N1CCNCC1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is CNASJJGWSPALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2)7-9(11)13-8-10(15)14-5-3-12-4-6-14/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone?
2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 82508390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).