[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone

C28H29N3O2 — CID 141414922

IUPAC[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)cc3)CC2)n1
InChIInChI=1S/C28H29N3O2/c1-21-6-4-9-24(29-21)20-28(33)15-18-30(19-16-28)27(32)23-11-13-25(14-12-23)31-17-5-8-22-7-2-3-10-26(22)31/h2-14,33H,15-20H2,1H3
InChIKeyJOQSEAHOHHFZIR-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.76
Rot. Bonds4

About [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone

[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone (PubChem CID 141414922) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
PubChem CID141414922
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)cc3)CC2)n1
InChIInChI=1S/C28H29N3O2/c1-21-6-4-9-24(29-21)20-28(33)15-18-30(19-16-28)27(32)23-11-13-25(14-12-23)31-17-5-8-22-7-2-3-10-26(22)31/h2-14,33H,15-20H2,1H3
InChIKeyJOQSEAHOHHFZIR-UHFFFAOYSA-N
XLogP4.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone with MolForge

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Related Compounds

[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141414978
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone
CID 144700092
3-phenyl-1-[4-[4-(2H-quinolin-1-yl)benzoyl]-1,4-diazepan-1-yl]propan-1-one
CID 141286592
(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 144699588
[4-[(2,3-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141286572
[4-(3,3-difluoropropyl)-4-hydroxypiperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone;21,24-dihydroporphyrin-5-sulfonamide
CID 162622562
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126830095
[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
CID 141286684
4-(4-ethyl-4-hydroxypiperidine-1-carbonyl)benzamide
CID 119138253
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
[4-hydroxy-4-[[2-(4-methylphenyl)pyrazol-3-yl]methyl]piperidin-1-yl]-[4-(1-methylazetidin-3-yl)oxyphenyl]methanone
CID 174993288
(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438455

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone (CID 141414922) is [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone is Cc1cccc(CC2(O)CCN(C(=O)c3ccc(N4CC=Cc5ccccc54)cc3)CC2)n1.
What is the InChIKey of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The InChIKey is JOQSEAHOHHFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-21-6-4-9-24(29-21)20-28(33)15-18-30(19-16-28)27(32)23-11-13-25(14-12-23)31-17-5-8-22-7-2-3-10-26(22)31/h2-14,33H,15-20H2,1H3.
What are the key properties of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone has a molecular weight of 439.56 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone is sourced from PubChem (CID 141414922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).