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

C19H21N5O2 — CID 110115127

IUPAC6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CCn1cnc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C19H21N5O2/c25-18(8-11-24-13-21-16-5-1-2-6-17(16)24)23-10-3-4-14(12-23)15-7-9-20-19(26)22-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,20,22,26)
InChIKeyHYUJSPXCGVUEPD-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.92
Rot. Bonds4

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

6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115127) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115127
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CCn1cnc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C19H21N5O2/c25-18(8-11-24-13-21-16-5-1-2-6-17(16)24)23-10-3-4-14(12-23)15-7-9-20-19(26)22-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,20,22,26)
InChIKeyHYUJSPXCGVUEPD-UHFFFAOYSA-N
XLogP1.92
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
2-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110106026
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45252749
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 110115127) is 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is O=C(CCn1cnc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is HYUJSPXCGVUEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(8-11-24-13-21-16-5-1-2-6-17(16)24)23-10-3-4-14(12-23)15-7-9-20-19(26)22-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,20,22,26).
What are the key properties of 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).