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

C16H24N4O — CID 129338372

IUPAC[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H24N4O/c1-2-19-7-8-20(10-14(19)15-17-5-6-18-15)16(21)13-9-12(13)11-3-4-11/h5-6,11-14H,2-4,7-10H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyUIXQSICIGWVPGP-MGPQQGTHSA-N
MW288.39 g/mol
LogP1.66
Rot. Bonds4

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

[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 129338372) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
PubChem CID129338372
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H24N4O/c1-2-19-7-8-20(10-14(19)15-17-5-6-18-15)16(21)13-9-12(13)11-3-4-11/h5-6,11-14H,2-4,7-10H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyUIXQSICIGWVPGP-MGPQQGTHSA-N
XLogP1.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129330670
1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 128972958
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone (CID 129338372) is [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone is CCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is UIXQSICIGWVPGP-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-19-7-8-20(10-14(19)15-17-5-6-18-15)16(21)13-9-12(13)11-3-4-11/h5-6,11-14H,2-4,7-10H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129338372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).