6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one

C17H23N5O2 — CID 124944016

IUPAC6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H23N5O2/c1-2-15-18-8-11-21(15)10-6-16(23)22-9-3-4-13(12-22)14-5-7-19-17(24)20-14/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3,(H,19,20,24)/t13-/m1/s1
InChIKeyBGUNWBBTSVMVTB-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds5

About 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124944016) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124944016
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H23N5O2/c1-2-15-18-8-11-21(15)10-6-16(23)22-9-3-4-13(12-22)14-5-7-19-17(24)20-14/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3,(H,19,20,24)/t13-/m1/s1
InChIKeyBGUNWBBTSVMVTB-CYBMUJFWSA-N
XLogP1.33
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
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6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
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3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]propan-1-one
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1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
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3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
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4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 124944016) is 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is CCc1nccn1CCC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is BGUNWBBTSVMVTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-15-18-8-11-21(15)10-6-16(23)22-9-3-4-13(12-22)14-5-7-19-17(24)20-14/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3,(H,19,20,24)/t13-/m1/s1.
What are the key properties of 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124944016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).