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

C25H26N6O2 — CID 71527495

IUPAC[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc4ncccc4n3)CC[C@H]2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-5-9-23(31-27-12-13-28-31)20(14-17)25(32)30-15-19(7-6-18(30)2)16-33-24-10-8-21-22(29-24)4-3-11-26-21/h3-5,8-14,18-19H,6-7,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyAKSVRGYCBFKBGH-RTBURBONSA-N
MW442.52 g/mol
LogP3.84
Rot. Bonds5

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

[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 71527495) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID71527495
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc4ncccc4n3)CC[C@H]2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-5-9-23(31-27-12-13-28-31)20(14-17)25(32)30-15-19(7-6-18(30)2)16-33-24-10-8-21-22(29-24)4-3-11-26-21/h3-5,8-14,18-19H,6-7,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyAKSVRGYCBFKBGH-RTBURBONSA-N
XLogP3.84
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 71527495) is [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc4ncccc4n3)CC[C@H]2C)c1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AKSVRGYCBFKBGH-RTBURBONSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-5-9-23(31-27-12-13-28-31)20(14-17)25(32)30-15-19(7-6-18(30)2)16-33-24-10-8-21-22(29-24)4-3-11-26-21/h3-5,8-14,18-19H,6-7,15-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 442.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71527495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).