[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C21H24N2O3 — CID 97142075

IUPAC[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)nc1
InChIInChI=1S/C21H24N2O3/c1-15-6-7-19(22-13-15)21(25)8-10-23(11-9-21)20(24)17-12-16-4-2-3-5-18(16)26-14-17/h2-7,13,17,25H,8-12,14H2,1H3/t17-/m1/s1
InChIKeyXYQIVBZHJIITPG-QGZVFWFLSA-N
MW352.43 g/mol
LogP2.45
Rot. Bonds2

About [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 97142075) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID97142075
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)nc1
InChIInChI=1S/C21H24N2O3/c1-15-6-7-19(22-13-15)21(25)8-10-23(11-9-21)20(24)17-12-16-4-2-3-5-18(16)26-14-17/h2-7,13,17,25H,8-12,14H2,1H3/t17-/m1/s1
InChIKeyXYQIVBZHJIITPG-QGZVFWFLSA-N
XLogP2.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 72925235
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 97149143
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
4-(5-methyl-2-pyridinyl)-1-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-ol
CID 97278753
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323430
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 97139467
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70758808
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 97142075) is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)nc1.
What is the InChIKey of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is XYQIVBZHJIITPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-7-19(22-13-15)21(25)8-10-23(11-9-21)20(24)17-12-16-4-2-3-5-18(16)26-14-17/h2-7,13,17,25H,8-12,14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97142075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).