(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

C12H21N5O — CID 120872894

IUPAC(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C12H21N5O/c1-10(13)12(18)17-7-5-16(6-8-17)9-11-14-3-4-15(11)2/h3-4,10H,5-9,13H2,1-2H3/t10-/m1/s1
InChIKeyZWWHVOBYLIBSLE-SNVBAGLBSA-N
MW251.33 g/mol
LogP-0.59
Rot. Bonds3

About (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 120872894) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID120872894
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C12H21N5O/c1-10(13)12(18)17-7-5-16(6-8-17)9-11-14-3-4-15(11)2/h3-4,10H,5-9,13H2,1-2H3/t10-/m1/s1
InChIKeyZWWHVOBYLIBSLE-SNVBAGLBSA-N
XLogP-0.59
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82510942
N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 3737847
(2R)-2-amino-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119902960
1-[6-hydroxy-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72858575
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91833899

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one (CID 120872894) is (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(Cc2nccn2C)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZWWHVOBYLIBSLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(13)12(18)17-7-5-16(6-8-17)9-11-14-3-4-15(11)2/h3-4,10H,5-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120872894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).