[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H25N5O2 — CID 46188604

IUPAC[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H25N5O2/c1-18-10-11-19(17-32-24-13-12-20-6-2-4-8-22(20)28-24)16-29(18)25(31)21-7-3-5-9-23(21)30-26-14-15-27-30/h2-9,12-15,18-19H,10-11,16-17H2,1H3/t18-,19-/m1/s1
InChIKeyMBPMWOSPNIHPIB-RTBURBONSA-N
MW427.51 g/mol
LogP4.14
Rot. Bonds5

About [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 46188604) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID46188604
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H25N5O2/c1-18-10-11-19(17-32-24-13-12-20-6-2-4-8-22(20)28-24)16-29(18)25(31)21-7-3-5-9-23(21)30-26-14-15-27-30/h2-9,12-15,18-19H,10-11,16-17H2,1H3/t18-,19-/m1/s1
InChIKeyMBPMWOSPNIHPIB-RTBURBONSA-N
XLogP4.14
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188068
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 25124830
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(2R,5R)-5-[(5-bromo-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71036863
[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71527495
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 25125173
[(2R,5R)-2-methyl-5-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25125857
(7-methyl-4-quinolin-2-yl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 24815216
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71526142
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
[(2R,5R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-5-methyl-1-oxo-1,4-thiazinan-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71526325

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 46188604) is [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](COc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is MBPMWOSPNIHPIB-RTBURBONSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-10-11-19(17-32-24-13-12-20-6-2-4-8-22(20)28-24)16-29(18)25(31)21-7-3-5-9-23(21)30-26-14-15-27-30/h2-9,12-15,18-19H,10-11,16-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 427.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46188604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).