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

C14H22N4O2 — CID 129330364

IUPAC[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H22N4O2/c1-17-6-7-18(9-12(17)13-15-4-5-16-13)14(19)11-3-2-8-20-10-11/h4-5,11-12H,2-3,6-10H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyHTKCTJADWRIZPL-NEPJUHHUSA-N
MW278.36 g/mol
LogP0.65
Rot. Bonds2

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

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone (PubChem CID 129330364) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone
PubChem CID129330364
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H22N4O2/c1-17-6-7-18(9-12(17)13-15-4-5-16-13)14(19)11-3-2-8-20-10-11/h4-5,11-12H,2-3,6-10H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyHTKCTJADWRIZPL-NEPJUHHUSA-N
XLogP0.65
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
CID 129340791
[(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]-[(2S,3R)-2-methyloxolan-3-yl]methanone
CID 129332032
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129330670
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
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]-thiophen-3-ylmethanone
CID 129337486
[(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-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128965047
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone (CID 129330364) is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The canonical SMILES for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone is CN1CCN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The InChIKey is HTKCTJADWRIZPL-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-6-7-18(9-12(17)13-15-4-5-16-13)14(19)11-3-2-8-20-10-11/h4-5,11-12H,2-3,6-10H2,1H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone has a molecular weight of 278.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone is sourced from PubChem (CID 129330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).