2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

C20H23N5O — CID 16672222

IUPAC2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCC(n2nnc3cccnc32)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-2-17(15-7-4-3-5-8-15)20(26)24-13-10-16(11-14-24)25-19-18(22-23-25)9-6-12-21-19/h3-9,12,16-17H,2,10-11,13-14H2,1H3
InChIKeyVPYBGBNNNXSYPE-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.18
Rot. Bonds4

About 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 16672222) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
PubChem CID16672222
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCC(n2nnc3cccnc32)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-2-17(15-7-4-3-5-8-15)20(26)24-13-10-16(11-14-24)25-19-18(22-23-25)9-6-12-21-19/h3-9,12,16-17H,2,10-11,13-14H2,1H3
InChIKeyVPYBGBNNNXSYPE-UHFFFAOYSA-N
XLogP3.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (CID 16672222) is 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is CCC(C(=O)N1CCC(n2nnc3cccnc32)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is VPYBGBNNNXSYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-17(15-7-4-3-5-8-15)20(26)24-13-10-16(11-14-24)25-19-18(22-23-25)9-6-12-21-19/h3-9,12,16-17H,2,10-11,13-14H2,1H3.
What are the key properties of 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 349.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 16672222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).