[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

C21H23N3O3 — CID 46964804

IUPAC[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1ccccc1C1(O)CCCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C21H23N3O3/c1-14-22-17-9-8-15(12-18(17)23-14)20(25)24-11-5-10-21(26,13-24)16-6-3-4-7-19(16)27-2/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3,(H,22,23)
InChIKeyNUBXMYRRABWASJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds3

About [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 46964804) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID46964804
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1ccccc1C1(O)CCCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C21H23N3O3/c1-14-22-17-9-8-15(12-18(17)23-14)20(25)24-11-5-10-21(26,13-24)16-6-3-4-7-19(16)27-2/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3,(H,22,23)
InChIKeyNUBXMYRRABWASJ-UHFFFAOYSA-N
XLogP3.00
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-methoxypropyl)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 97137422
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 155985492
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 97110069
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (CID 46964804) is [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is COc1ccccc1C1(O)CCCN(C(=O)c2ccc3nc(C)[nH]c3c2)C1.
What is the InChIKey of [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is NUBXMYRRABWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-22-17-9-8-15(12-18(17)23-14)20(25)24-11-5-10-21(26,13-24)16-6-3-4-7-19(16)27-2/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 46964804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).