2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

C20H28N4O2 — CID 72907509

IUPAC2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC(O)C4)CC3)nc12
InChIInChI=1S/C20H28N4O2/c1-14-4-2-6-17-19(14)22-20(21-17)15-7-10-24(11-8-15)18(26)13-23-9-3-5-16(25)12-23/h2,4,6,15-16,25H,3,5,7-13H2,1H3,(H,21,22)
InChIKeyRTHJCTOOWJMENK-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.03
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 72907509) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID72907509
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC(O)C4)CC3)nc12
InChIInChI=1S/C20H28N4O2/c1-14-4-2-6-17-19(14)22-20(21-17)15-7-10-24(11-8-15)18(26)13-23-9-3-5-16(25)12-23/h2,4,6,15-16,25H,3,5,7-13H2,1H3,(H,21,22)
InChIKeyRTHJCTOOWJMENK-UHFFFAOYSA-N
XLogP2.03
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95217260
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70734781

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (CID 72907509) is 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is Cc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC(O)C4)CC3)nc12.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RTHJCTOOWJMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-4-2-6-17-19(14)22-20(21-17)15-7-10-24(11-8-15)18(26)13-23-9-3-5-16(25)12-23/h2,4,6,15-16,25H,3,5,7-13H2,1H3,(H,21,22).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72907509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).