[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C21H28N2O3 — CID 51589067

IUPAC[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2cccnc2)CC1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c24-19(20-9-15-8-16(10-20)12-21(25,11-15)14-20)23-6-3-17(4-7-23)26-18-2-1-5-22-13-18/h1-2,5,13,15-17,25H,3-4,6-12,14H2/t15-,16+,20?,21?
InChIKeyFVHASJNBGWOBOA-XBLGPDGASA-N
MW356.47 g/mol
LogP2.78
Rot. Bonds3

About [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 51589067) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID51589067
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2cccnc2)CC1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c24-19(20-9-15-8-16(10-20)12-21(25,11-15)14-20)23-6-3-17(4-7-23)26-18-2-1-5-22-13-18/h1-2,5,13,15-17,25H,3-4,6-12,14H2/t15-,16+,20?,21?
InChIKeyFVHASJNBGWOBOA-XBLGPDGASA-N
XLogP2.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 98512410
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
CID 98138286
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
CID 10905377
(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone
CID 99795167
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643224
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351

Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 51589067) is [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C(N1CCC(Oc2cccnc2)CC1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is FVHASJNBGWOBOA-XBLGPDGASA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(20-9-15-8-16(10-20)12-21(25,11-15)14-20)23-6-3-17(4-7-23)26-18-2-1-5-22-13-18/h1-2,5,13,15-17,25H,3-4,6-12,14H2/t15-,16+,20?,21?.
What are the key properties of [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 51589067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).