2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one

C10H21N3O — CID 63633519

IUPAC2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N)CC1C
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(7-8(12)2)10(14)9(3)11/h8-9H,4-7,11H2,1-3H3
InChIKeyMYJTYXOBAIKCIF-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds2

About 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one

2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one (PubChem CID 63633519) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
PubChem CID63633519
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N)CC1C
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(7-8(12)2)10(14)9(3)11/h8-9H,4-7,11H2,1-3H3
InChIKeyMYJTYXOBAIKCIF-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile
CID 55216609
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202672
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
2-(4-ethyl-3-methylpiperazine-1-carbonyl)butanethioamide
CID 55215265
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 63620232
2-amino-1-(6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 176568034
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
(2R)-2-amino-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 120874133
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one (CID 63633519) is 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)N)CC1C.
What is the InChIKey of 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is MYJTYXOBAIKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12-5-6-13(7-8(12)2)10(14)9(3)11/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one?
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).