[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H25N5O2 — CID 25127820

IUPAC[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(OC[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1
InChIInChI=1S/C22H25N5O2/c1-16-6-5-9-21(25-16)29-15-18-11-10-17(2)26(14-18)22(28)19-7-3-4-8-20(19)27-23-12-13-24-27/h3-9,12-13,17-18H,10-11,14-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyRAGJBUUPALHONH-QZTJIDSGSA-N
MW391.48 g/mol
LogP3.29
Rot. Bonds5

About [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 25127820) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID25127820
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(OC[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1
InChIInChI=1S/C22H25N5O2/c1-16-6-5-9-21(25-16)29-15-18-11-10-17(2)26(14-18)22(28)19-7-3-4-8-20(19)27-23-12-13-24-27/h3-9,12-13,17-18H,10-11,14-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyRAGJBUUPALHONH-QZTJIDSGSA-N
XLogP3.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.29
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-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 25127820) is [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1cccc(OC[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is RAGJBUUPALHONH-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-6-5-9-21(25-16)29-15-18-11-10-17(2)26(14-18)22(28)19-7-3-4-8-20(19)27-23-12-13-24-27/h3-9,12-13,17-18H,10-11,14-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.29, 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-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 25127820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).