3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

C20H28N6O2 — CID 95872739

IUPAC3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC[C@H](c3cc(N4CCOCC4)ncn3)C2)c1
InChIInChI=1S/C20H28N6O2/c1-16-12-23-26(13-16)6-4-20(27)25-5-2-3-17(14-25)18-11-19(22-15-21-18)24-7-9-28-10-8-24/h11-13,15,17H,2-10,14H2,1H3/t17-/m0/s1
InChIKeyPYPJICGBHHQOOY-KRWDZBQOSA-N
MW384.48 g/mol
LogP1.61
Rot. Bonds5

About 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 95872739) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID95872739
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC[C@H](c3cc(N4CCOCC4)ncn3)C2)c1
InChIInChI=1S/C20H28N6O2/c1-16-12-23-26(13-16)6-4-20(27)25-5-2-3-17(14-25)18-11-19(22-15-21-18)24-7-9-28-10-8-24/h11-13,15,17H,2-10,14H2,1H3/t17-/m0/s1
InChIKeyPYPJICGBHHQOOY-KRWDZBQOSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
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CID 56898389
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
CID 70741044
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856
1-[(3R)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 92563745
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72879379
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (CID 95872739) is 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCC[C@H](c3cc(N4CCOCC4)ncn3)C2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PYPJICGBHHQOOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-16-12-23-26(13-16)6-4-20(27)25-5-2-3-17(14-25)18-11-19(22-15-21-18)24-7-9-28-10-8-24/h11-13,15,17H,2-10,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95872739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).