[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C20H25N3O3 — CID 167834752

IUPAC[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1ccc2c(c1)CCC(C(=O)N1CCC(O)(c3ccn[nH]3)CC1)C2
InChIInChI=1S/C20H25N3O3/c1-26-17-5-4-14-12-16(3-2-15(14)13-17)19(24)23-10-7-20(25,8-11-23)18-6-9-21-22-18/h4-6,9,13,16,25H,2-3,7-8,10-12H2,1H3,(H,21,22)
InChIKeyDGQMUPQEGSIWJU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.03
Rot. Bonds3

About [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 167834752) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID167834752
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1ccc2c(c1)CCC(C(=O)N1CCC(O)(c3ccn[nH]3)CC1)C2
InChIInChI=1S/C20H25N3O3/c1-26-17-5-4-14-12-16(3-2-15(14)13-17)19(24)23-10-7-20(25,8-11-23)18-6-9-21-22-18/h4-6,9,13,16,25H,2-3,7-8,10-12H2,1H3,(H,21,22)
InChIKeyDGQMUPQEGSIWJU-UHFFFAOYSA-N
XLogP2.03
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 167834752) is [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone is COc1ccc2c(c1)CCC(C(=O)N1CCC(O)(c3ccn[nH]3)CC1)C2.
What is the InChIKey of [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is DGQMUPQEGSIWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-17-5-4-14-12-16(3-2-15(14)13-17)19(24)23-10-7-20(25,8-11-23)18-6-9-21-22-18/h4-6,9,13,16,25H,2-3,7-8,10-12H2,1H3,(H,21,22).
What are the key properties of [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 167834752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).