(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one

C16H24N4O2 — CID 95159800

IUPAC(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-12(13-3-4-13)11-15(21)19-7-9-20(10-8-19)16-17-6-5-14(18-16)22-2/h5-6,12-13H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyUVTFEEYCTYQJOD-GFCCVEGCSA-N
MW304.39 g/mol
LogP1.57
Rot. Bonds5

About (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one

(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 95159800) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
PubChem CID95159800
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESCOc1ccnc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)n1
InChIInChI=1S/C16H24N4O2/c1-12(13-3-4-13)11-15(21)19-7-9-20(10-8-19)16-17-6-5-14(18-16)22-2/h5-6,12-13H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyUVTFEEYCTYQJOD-GFCCVEGCSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 60550304
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
cyclohex-3-en-1-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56814584
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56799033

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one (CID 95159800) is (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one is COc1ccnc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)n1.
What is the InChIKey of (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is UVTFEEYCTYQJOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(13-3-4-13)11-15(21)19-7-9-20(10-8-19)16-17-6-5-14(18-16)22-2/h5-6,12-13H,3-4,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one?
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 95159800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).