(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one

C14H28N2O2 — CID 100704548

IUPAC(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
SMILESCC[C@@H](C)CC(=O)N1CCN([C@H](C)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-12(2)10-14(17)16-8-6-15(7-9-16)13(3)11-18-4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyCXUBJDPMHASIPR-CHWSQXEVSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds6

About (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one

(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one (PubChem CID 100704548) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
PubChem CID100704548
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
SMILESCC[C@@H](C)CC(=O)N1CCN([C@H](C)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-12(2)10-14(17)16-8-6-15(7-9-16)13(3)11-18-4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyCXUBJDPMHASIPR-CHWSQXEVSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one with MolForge

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Related Compounds

(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
3-methoxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid
CID 112519900
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
CID 135173691
1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 71853351
1-(4-butan-2-ylpiperazin-1-yl)-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propan-1-one
CID 156819721
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506
N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
CID 104982318
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one?
The IUPAC name of (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one (CID 100704548) is (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one is CC[C@@H](C)CC(=O)N1CCN([C@H](C)COC)CC1.
What is the InChIKey of (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one?
The InChIKey is CXUBJDPMHASIPR-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-12(2)10-14(17)16-8-6-15(7-9-16)13(3)11-18-4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one?
(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 100704548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).