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

C10H21N3O — CID 78946636

IUPAC(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)[C@@H](C)N)CCN1C
InChIInChI=1S/C10H21N3O/c1-4-9-7-13(6-5-12(9)3)10(14)8(2)11/h8-9H,4-7,11H2,1-3H3/t8-,9?/m1/s1
InChIKeyDYALCIBFUGWPNH-VEDVMXKPSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds2

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

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one (PubChem CID 78946636) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
PubChem CID78946636
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)[C@@H](C)N)CCN1C
InChIInChI=1S/C10H21N3O/c1-4-9-7-13(6-5-12(9)3)10(14)8(2)11/h8-9H,4-7,11H2,1-3H3/t8-,9?/m1/s1
InChIKeyDYALCIBFUGWPNH-VEDVMXKPSA-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

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 63610949
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836583
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
2-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one (CID 78946636) is (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one is CCC1CN(C(=O)[C@@H](C)N)CCN1C.
What is the InChIKey of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is DYALCIBFUGWPNH-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-9-7-13(6-5-12(9)3)10(14)8(2)11/h8-9H,4-7,11H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-1-(3-ethyl-4-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 (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 78946636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).