(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one

C8H17N3O — CID 128923025

IUPAC(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C8H17N3O/c1-6-5-10-3-4-11(6)8(12)7(2)9/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyIQHNJVAUQUMZIO-BQBZGAKWSA-N
MW171.24 g/mol
LogP-0.85
Rot. Bonds1

About (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one

(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one (PubChem CID 128923025) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
PubChem CID128923025
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C8H17N3O/c1-6-5-10-3-4-11(6)8(12)7(2)9/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyIQHNJVAUQUMZIO-BQBZGAKWSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one (CID 128923025) is (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The InChIKey is IQHNJVAUQUMZIO-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-5-10-3-4-11(6)8(12)7(2)9/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one has a molecular weight of 171.24 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 128923025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).