(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one

C14H22N4O3 — CID 95589754

IUPAC(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCC[C@H](OC)C(=O)N1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3/c1-4-11(20-2)13(19)17-7-9-18(10-8-17)14-15-6-5-12(16-14)21-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1
InChIKeyWHTPCMIIOMQFGY-NSHDSACASA-N
MW294.35 g/mol
LogP0.56
Rot. Bonds5

About (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one

(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 95589754) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
PubChem CID95589754
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCC[C@H](OC)C(=O)N1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3/c1-4-11(20-2)13(19)17-7-9-18(10-8-17)14-15-6-5-12(16-14)21-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1
InChIKeyWHTPCMIIOMQFGY-NSHDSACASA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one 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

(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 60550304
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 60550124
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one (CID 95589754) is (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one is CC[C@H](OC)C(=O)N1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is WHTPCMIIOMQFGY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-11(20-2)13(19)17-7-9-18(10-8-17)14-15-6-5-12(16-14)21-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 294.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 95589754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).