2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one

C11H19N5O — CID 82510942

IUPAC2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCn1ccnc1CC(N)C(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-15-5-4-14-10(15)8-9(12)11(17)16-6-2-13-3-7-16/h4-5,9,13H,2-3,6-8,12H2,1H3
InChIKeyHVPPWYLEUCXIIF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-1.28
Rot. Bonds3

About 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one

2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82510942) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82510942
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCn1ccnc1CC(N)C(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-15-5-4-14-10(15)8-9(12)11(17)16-6-2-13-3-7-16/h4-5,9,13H,2-3,6-8,12H2,1H3
InChIKeyHVPPWYLEUCXIIF-UHFFFAOYSA-N
XLogP-1.28
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 61404917
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one (CID 82510942) is 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one is Cn1ccnc1CC(N)C(=O)N1CCNCC1.
What is the InChIKey of 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is HVPPWYLEUCXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-5-4-14-10(15)8-9(12)11(17)16-6-2-13-3-7-16/h4-5,9,13H,2-3,6-8,12H2,1H3.
What are the key properties of 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one?
2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 237.31 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82510942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).