(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one

C20H22N4O2 — CID 97110031

IUPAC(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(26-19-7-6-16-4-2-3-5-17(16)12-19)20(25)23-10-8-18(9-11-23)24-13-21-22-14-24/h2-7,12-15,18H,8-11H2,1H3/t15-/m1/s1
InChIKeyUHHLSQAPQOPFFY-OAHLLOKOSA-N
MW350.42 g/mol
LogP3.06
Rot. Bonds4

About (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one

(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 97110031) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID97110031
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(26-19-7-6-16-4-2-3-5-17(16)12-19)20(25)23-10-8-18(9-11-23)24-13-21-22-14-24/h2-7,12-15,18H,8-11H2,1H3/t15-/m1/s1
InChIKeyUHHLSQAPQOPFFY-OAHLLOKOSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one (CID 97110031) is (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one is C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(n2cnnc2)CC1.
What is the InChIKey of (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is UHHLSQAPQOPFFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(26-19-7-6-16-4-2-3-5-17(16)12-19)20(25)23-10-8-18(9-11-23)24-13-21-22-14-24/h2-7,12-15,18H,8-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one?
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 350.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).