2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide

C12H25N3O — CID 43269882

IUPAC2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)CN1CCNCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-4-7-15(11(2)3)12(16)10-14-8-5-13-6-9-14/h11,13H,4-10H2,1-3H3
InChIKeyQWIRQEODOFORJV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds5

About 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide

2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide (PubChem CID 43269882) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
PubChem CID43269882
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)CN1CCNCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-4-7-15(11(2)3)12(16)10-14-8-5-13-6-9-14/h11,13H,4-10H2,1-3H3
InChIKeyQWIRQEODOFORJV-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 62837792
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide
CID 79858894
2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 62838165
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide (CID 43269882) is 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)CN1CCNCC1)C(C)C.
What is the InChIKey of 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide?
The InChIKey is QWIRQEODOFORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-7-15(11(2)3)12(16)10-14-8-5-13-6-9-14/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide?
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 43269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).