2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one

C23H27N3O3 — CID 45377359

IUPAC2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one
SMILESCC(C)CN1CCC(Oc2ccc(C(=O)N3Cc4ccccc4C3=O)cn2)CC1
InChIInChI=1S/C23H27N3O3/c1-16(2)14-25-11-9-19(10-12-25)29-21-8-7-17(13-24-21)22(27)26-15-18-5-3-4-6-20(18)23(26)28/h3-8,13,16,19H,9-12,14-15H2,1-2H3
InChIKeyZTIQUULSJJNYCR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.38
Rot. Bonds5

About 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one

2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one (PubChem CID 45377359) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one
PubChem CID45377359
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one
SMILESCC(C)CN1CCC(Oc2ccc(C(=O)N3Cc4ccccc4C3=O)cn2)CC1
InChIInChI=1S/C23H27N3O3/c1-16(2)14-25-11-9-19(10-12-25)29-21-8-7-17(13-24-21)22(27)26-15-18-5-3-4-6-20(18)23(26)28/h3-8,13,16,19H,9-12,14-15H2,1-2H3
InChIKeyZTIQUULSJJNYCR-UHFFFAOYSA-N
XLogP3.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one?
The IUPAC name of 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one (CID 45377359) is 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one is CC(C)CN1CCC(Oc2ccc(C(=O)N3Cc4ccccc4C3=O)cn2)CC1.
What is the InChIKey of 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one?
The InChIKey is ZTIQUULSJJNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)14-25-11-9-19(10-12-25)29-21-8-7-17(13-24-21)22(27)26-15-18-5-3-4-6-20(18)23(26)28/h3-8,13,16,19H,9-12,14-15H2,1-2H3.
What are the key properties of 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one?
2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one has a molecular weight of 393.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one is sourced from PubChem (CID 45377359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).