[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H25N5O2 — CID 46188068

IUPAC[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc3cccnc3c2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H25N5O2/c1-18-8-9-19(17-32-21-11-10-20-5-4-12-26-23(20)15-21)16-29(18)25(31)22-6-2-3-7-24(22)30-27-13-14-28-30/h2-7,10-15,18-19H,8-9,16-17H2,1H3/t18-,19-/m1/s1
InChIKeyGHCLYTKRPGXINT-RTBURBONSA-N
MW427.51 g/mol
LogP4.14
Rot. Bonds5

About [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 46188068) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID46188068
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc3cccnc3c2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H25N5O2/c1-18-8-9-19(17-32-21-11-10-20-5-4-12-26-23(20)15-21)16-29(18)25(31)22-6-2-3-7-24(22)30-27-13-14-28-30/h2-7,10-15,18-19H,8-9,16-17H2,1H3/t18-,19-/m1/s1
InChIKeyGHCLYTKRPGXINT-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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 46188068) is [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](COc2ccc3cccnc3c2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is GHCLYTKRPGXINT-RTBURBONSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-8-9-19(17-32-21-11-10-20-5-4-12-26-23(20)15-21)16-29(18)25(31)22-6-2-3-7-24(22)30-27-13-14-28-30/h2-7,10-15,18-19H,8-9,16-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-(quinolin-7-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-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46188068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).