2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one

C15H19N3O2 — CID 43502685

IUPAC2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC(O)C1)n1cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-11(15(20)17-8-4-5-12(19)9-17)18-10-16-13-6-2-3-7-14(13)18/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyYNQOHIWWWVUQMC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds2

About 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one

2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43502685) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43502685
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC(O)C1)n1cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-11(15(20)17-8-4-5-12(19)9-17)18-10-16-13-6-2-3-7-14(13)18/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyYNQOHIWWWVUQMC-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129427686
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
(2S)-2-(benzimidazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 95707820
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
(2S)-2-(benzimidazol-1-yl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95752271

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one (CID 43502685) is 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)N1CCCC(O)C1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is YNQOHIWWWVUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(15(20)17-8-4-5-12(19)9-17)18-10-16-13-6-2-3-7-14(13)18/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one?
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43502685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).