[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone

C17H23N5O2 — CID 86783548

IUPAC[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)N2CCC(n3ccnn3)CC2)cn1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-15-5-4-13(12-18-15)16(23)21-9-6-14(7-10-21)22-11-8-19-20-22/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMCJWCKYDZBCPJM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.33
Rot. Bonds3

About [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone

[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 86783548) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
PubChem CID86783548
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)N2CCC(n3ccnn3)CC2)cn1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-15-5-4-13(12-18-15)16(23)21-9-6-14(7-10-21)22-11-8-19-20-22/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMCJWCKYDZBCPJM-UHFFFAOYSA-N
XLogP2.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121151312
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150998
3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150916
(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154730

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone (CID 86783548) is [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone is CC(C)(C)Oc1ccc(C(=O)N2CCC(n3ccnn3)CC2)cn1.
What is the InChIKey of [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is MCJWCKYDZBCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)24-15-5-4-13(12-18-15)16(23)21-9-6-14(7-10-21)22-11-8-19-20-22/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone?
[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86783548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).