2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

C10H21N3O — CID 43263438

IUPAC2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(C)C(C)C(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-4-12(3)9(2)10(14)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3
InChIKeyUTNXDFZPAGPKPA-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds3

About 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 43263438) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID43263438
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(C)C(C)C(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-4-12(3)9(2)10(14)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3
InChIKeyUTNXDFZPAGPKPA-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82041151
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
CID 60516885
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61432130
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
CID 175810049

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (CID 43263438) is 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is CCN(C)C(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is UTNXDFZPAGPKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12(3)9(2)10(14)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43263438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).