[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone

C22H26N2O3 — CID 73347559

IUPAC[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-7-4-10-23-21(20)22(26)15-8-11-24(12-9-15)18-13-16-5-2-3-6-17(16)14-19(18)25/h2-7,10,15,18-19,25H,8-9,11-14H2,1H3/t18-,19-/m1/s1
InChIKeyPMCMBOOIDHLTGJ-RTBURBONSA-N
MW366.46 g/mol
LogP2.51
Rot. Bonds4

About [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone

[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone (PubChem CID 73347559) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone
PubChem CID73347559
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C22H26N2O3/c1-27-20-7-4-10-23-21(20)22(26)15-8-11-24(12-9-15)18-13-16-5-2-3-6-17(16)14-19(18)25/h2-7,10,15,18-19,25H,8-9,11-14H2,1H3/t18-,19-/m1/s1
InChIKeyPMCMBOOIDHLTGJ-RTBURBONSA-N
XLogP2.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone (CID 73347559) is [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone is COc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1.
What is the InChIKey of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is PMCMBOOIDHLTGJ-RTBURBONSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-7-4-10-23-21(20)22(26)15-8-11-24(12-9-15)18-13-16-5-2-3-6-17(16)14-19(18)25/h2-7,10,15,18-19,25H,8-9,11-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone?
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 366.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 73347559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).