[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

C15H22N4O — CID 129330670

IUPAC[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C15H22N4O/c1-18-6-7-19(9-13(18)14-16-4-5-17-14)15(20)12-8-11(12)10-2-3-10/h4-5,10-13H,2-3,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyIIBAHDCMCXMYOT-YNEHKIRRSA-N
MW274.37 g/mol
LogP1.27
Rot. Bonds3

About [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (PubChem CID 129330670) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
PubChem CID129330670
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C15H22N4O/c1-18-6-7-19(9-13(18)14-16-4-5-17-14)15(20)12-8-11(12)10-2-3-10/h4-5,10-13H,2-3,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyIIBAHDCMCXMYOT-YNEHKIRRSA-N
XLogP1.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2S,3R)-2-methyloxolan-3-yl]methanone
CID 129332032
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone
CID 129330364
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
CID 129329291

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (CID 129330670) is [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is IIBAHDCMCXMYOT-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-7-19(9-13(18)14-16-4-5-17-14)15(20)12-8-11(12)10-2-3-10/h4-5,10-13H,2-3,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1.
What are the key properties of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129330670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).